Properties
Canonical smiles
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
Catalog
CAS COVID-19 Anti-Viral Candidate Compounds
Chemical formula
C₃₀H₄₈O₃
Found in taxon
Vismia cayennensis, Retanilla trinervia, Doliocarpus verruculosus, Doliocarpus dentatus, Uapaca nitida, Cichorium intybus, Cussonia bancoensis, Tephrosia purpurea, Plumeria, Fagonia indica, Diospyros abyssinica, Diospyros canaliculata, Diospyros chevalieri, Diospyros cinnabarina, Diospyros mcphersonii, Diospyros crassiflora, Diospyros dendo, Diospyros fragrans, Diospyros gabunensis, Diospyros gracilescens, Diospyros hoyleana, Diospyros iturensis, Diospyros kamerunensis, Diospyros longiflora, Diospyros mespiliformis, Diospyros monbuttensis, Diospyros sanza-minika, Diospyros zenkeri, Alphitonia excelsa, Alphitonia petriei, Alphitonia whitei, Alphitonia zizyphoides, Beilschmiedia zenkeri, Ceriops tagal, Chaenomeles sinensis, Clusia nemorosa, Couepia polyandra, Coussarea paniculata, Dichapetalum gelonioides, Diospyros alboflavescens, Diospyros argentea, Diospyros bipindensis, Diospyros buxifolia, Diospyros ferrea, Diospyros candolleana, Diospyros castanea, Diospyros cauliflora, Diospyros chloroxylon, Diospyros consolatae, Diospyros bussei, Diospyros curranii, Diospyros diepenhorstii, Diospyros blancoi, Diospyros blancoi, Diospyros ebenum, Diospyros ehretioides, Diospyros elliptifolia, Diospyros embryopteris, Diospyros eriantha, Diospyros evena, Diospyros guianensis, Diospyros hirsuta, Diospyros ismailii, Diospyros kaki, Diospyros lotus, Diospyros mafiensis, Diospyros maingayi, Diospyros mannii, Diospyros maritima, Diospyros montana, Diospyros moonii, Diospyros morrisiana, Diospyros natalensis, Diospyros obliquifolia, Diospyros palmeri, Diospyros malabarica, Diospyros quaesita, Diospyros siamang, Diospyros siderophylla, Diospyros singaporensis, Diospyros sumatrana, Diospyros sylvatica, Diospyros thwaitesii, Diospyros virginiana, Diospyros walkeri, Diospyros wallichii, Enkianthus cernuus, Eucalyptus camaldulensis, Euphorbia micractina, Eysenhardtia platycarpa, Garcinia dulcis, Goniothalamus thwaitesii, Gustavia hexapetala, Helicteres angustifolia, Henriettea fascicularis, Jasminum lanceolarium, Lespedeza bicolor, Leucothoe grayana, Stenocereus eruca, Melaleuca ericifolia, Melaleuca leucadendra, Moldenhawera nutans, Morus australis, Nerium oleander, basil, Olea europaea, Peperomia leptostachya, Phyllanthus reticulatus, Plumeria obtusa, Pongamia pinnata, Psorospermum glaberrimum, Stauntonia hexaphylla, Stemodia foliosa, Syzygium formosanum, Terminalia superba, Ternstroemia cherryi, Ternstroemia gymnanthera, Ternstroemia merrilliana, Tetracentron sinense, Tetracera boiviniana, Tovomita brasiliensis, Vatica cinerea, Viscum coloratum, Ziziphus cambodiana, Aegle marmelos, Albizia versicolor, Alstonia scholaris, Amanoa oblongifolia, Ampelozizyphus amazonicus, Amsonia grandiflora, Anadenanthera colubrina, Ancistrocladus heyneanus, Anemone raddeana, Arbutus unedo, Artocarpus integer, Balanops australiana, Berlinia grandiflora, Bertholletia excelsa, Betula alnoides, Betula ermanii, Betula lenta, Betula maximowicziana, Betula platyphylla, Boehmeria excelsa, Bonnetia paniculata, Bowdichia virgilioides, Buxus wallichiana, Byrsonima crassifolia, Calliandra haematocephala, Calophyllum gracilipes, Calophyllum macrocarpum, Calophyllum teysmannii, Camptotheca acuminata, Caraipa densifolia, Senna obtusifolia, Cassinia laevis, Chamaecrista greggii, Clematoclethra scandens, Clerodendrum bungei, Clerodendrum mandarinorum, Clinopodium laxiflorum, Clinopodium umbrosum, Clusia columnaris, Clusia havetioides, Clusia paralicola, Combretum imberbe, Combretum quadrangulare, Cornus capitata, Couepia ulei, Cratoxylum sumatranum, Crossopteryx febrifuga, Crotalaria trifoliastrum, Cuphea carthagenensis, Cuphea epilobiifolia, Cyclolepis genistoides, Cylicodiscus gabunensis, Datura innoxia, Sonchus neriifolius, Dillenia papuana, Diospyros celebica, Diospyros nigra, Diospyros rhodocalyx, Discaria americana, Doliocarpus schottianus, Echinops echinatus, Ekebergia benguelensis, Eleocharis sellowiana, Equisetum arvense, Eremanthus veadeiroensis, Eugenia moraviana, Euptelea polyandra, Fagus × taurica, Ficus pumila, Ficus sarmentosa var. thunbergii, Forsythia suspensa, Gardenia saxatilis, Gliricidia sepium, liquorice, Harpalyce brasiliana, Harungana madagascariensis, Hedyotis lawsoniae, Helicteres isora, Hoffmannia strigillosa, Hypericum ascyron, Hypericum geminiflorum, Hypericum patulum, Hypericum sampsonii, Hypericum wightianum, Condea albida, Hyptis suaveolens, Ilex latifolia, Ilex macropoda, Illicium difengpi, Inga punctata, Iris missouriensis, Juglans regia, Koompassia malaccensis, Lantana camara, Lavandula spica, Lepechinia caulescens, Lespedeza davidii, Licania heteromorpha, Moquilea licaniaeflora, Limnophila geoffrayi, Luisia brachystachys, Luisia volucris, Lumnitzera racemosa, Luxemburgia nobilis, Luxemburgia octandra, Lycopus asper, Lycopus lucidus, Marila laxiflora, Melilotus messanensis, Melilotus siculus, Mesua ferrea, Microtropis fokienensis, Mitrephora heyneana, Mosla dianthera, Myodocarpus gracilis, Nelumbo nucifera, Physopsis viscida, Origanum compactum, Orthosiphon grandiflorus, Ozothamnus ledifolius, Paeonia lactiflora, Paeonia emodi, Paliurus hemsleyanus, Paliurus ramosissimus, Peganum nigellastrum, Perrottetia arisanensis, Perrottetia multiflora, Pouteria torta, Prunella vulgaris, Prunus dulcis, Pyrus communis, Quercus suber, Combretum indicum, Isodon coetsa, Rhododendron anthopogon, Rhododendron ovatum, Rosa davurica, Rosa multiflora, Rotala floribunda, Salvia farinacea, Salvia longistyla, Salvia roborowskii, Salvia thymoides, Salvia verticillata, Salvia xalapensis, Sanguisorba officinalis, Sarracenia flava, Scaevola floribunda, Scoparia dulcis, Senna lindheimeriana, Solanum aviculare, Sorocea bonplandii, Swartzia arborescens, Syncarpia glomulifera, Syzygium claviflorum, Tabebuia rosea, Terminalia alata, Terminalia glabrescens, Tetracera asiatica, Tovomita brevistaminea, Tovomita excelsa, Tovomita krukovii, Triadenum japonicum, Trigonia nivea var. fasciculata, Triphyophyllum peltatum, Valeriana laxiflora, Vellozia declinans, Vellozia stipitata, Viscum album, Vismia guianensis, Vismia martiana, Vismia micrantha, Vismia parviflora, Vitex negundo, Vitis vinifera, Vochysia divergens, Woodfordia fruticosa, Zanthoxylum tetraspermum, Zataria multiflora, Sarcomphalus joazeiro, Ziziphus jujuba, Ziziphus mauritiana, Ziziphus xylopyrus, Breynia fruticosa, Mimosa diplotricha, Paeonia rockii, Rosa rugosa, Strychnos vanprukii, Vachellia farnesiana var. farnesiana, Dillenia indica, Ulmus davidiana, Alnus japonica, Eriocapitella tomentosa, Arbutus menziesii, Astragalus altaicola, Barringtonia racemosa, Bauhinia purpurea, Berberis koreana, Calophyllum inophyllum, Calophyllum tomentosum, Ceanothus americanus, Ceanothus velutinus, Ceriops decandra, Colubrina greggii, Cornus florida, Cornus kousa, Cratoxylum arborescens, Dialium excelsum, Katmon, Diospyros decandra, Diospyros mollis, Diospyros paniculata, Dorstenia convexa, Dracocephalum forrestii, Dracocephalum peregrinum, Eriobotrya japonica, Eucalyptus exserta, Syzygium grande, Zanthoxylum gilletii, Ficus conraui, Ficus cordata, Ficus pandurata, Ficus polita, Garcinia hanburyi, Gladiolus italicus, Strobilanthes psilostachys, Gomphostemma microdon, Gouania ulmifolia, Hypericum chinense, Ixeridium gracile, Leptospermum scoparium, Lippia dulcis, Phyla dulcis, Melaleuca squarrosa, Menyanthes trifoliata, Mesua beccariana, Mesua myrtifolia, Morus alba var. multicaulis, Osmanthus armatus, Plumeria rubra, Poncirus trifoliata, Psorospermum aurantiacum, Rauvolfia vomitoria, Oedera calycina, Relhania calycina, Oedera fruticosa, Relhania fruticosa, Oedera genistifolia, Brucea javanica, Salacia chinensis, Sarcandra glabra, Sorbus decora, Stemodia maritima, Stemodia trifoliata, Tadehagi triquetrum, Tectona grandis, Terminalia brachystemma, Tripterygium wilfordii, Uapaca acuminata, Uapaca guineensis, Uapaca mole, Ugni molinae, Vatica diospyroides, Viburnum cylindricum, Vismia baccifera, Libidibia paraguariensis, Maytenus canariensis, Bacopa crenata, Dillenia serrata, Salvia abrotanoides, Strobilanthes dimorphotricha, Strobilanthes pentstemonoides, Tovomita choisyana, Eugenia modesta, Polygonum plebeium, Ziziphus xylopyra, Bacopa monnieri, Hydnocarpus pentandrus, Diospyros greenwayi, Licania cariae, Moquilea cariae, Artocarpus rigidus, Viburnum odoratissimum, Ziziphus spina-christi, Rhaphiolepis loquata, Tovomita fructipendula, Betula pendula, Diospyros leucomelas, Rosmarinus officinalis, Bacillus megaterium, Aegiphila verticillata, Lavandula latifolia, Diospyros melanoxylon, Ficus auriculata, Maclura tricuspidata, Strychnos spinosa, Lavandula angustifolia, Orthosiphon aristatus, Morus indica, Hypericum japonicum, Millettia pinnata, Moquilea tomentosa, Biancaea decapetala, Cuphea appendiculata, Moquilea pyrifolia, Syzygium sandwicense, Senegalia mellifera, Prunus avium, Heptapleurum heptaphyllum, Morus alba, Diospyros verrucosa, Anthocercis littorea, Grammosolen odgersii, Anthocercis intricata, Petalostigma, Alyxia buxifolia, Nuytsia floribunda, Melaleuca rhaphiophylla, Melaleuca cuticularis, Melaleuca viminea, Melaleuca decussata, Melaleuca parviflora, Melaleuca lanceolata, Peperomia humilis, Combretum malabaricum, Salvia officinalis
Isomeric smiles
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
Mass
+456.360345
P14541
2r4IaX
Stereoisomer of
Epibetulinic acid, (1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1S,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aS,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9R,11aR,11bS,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aS,5bR,7aR,9R,11aR,11bS,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aS,13bS)-9-hydroxy-5a, 5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bS,7aS,9S,11aS,11bS,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aR,5aS,5bR,7aS,9S,11aR,11bS,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aS,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
External References (32)
Cas registry number
472-15-1
Chebi id
3087
Chembl id
CHEMBL269277
Chemspider id
58496
Cosing number
83541
Drugbank id
DB12480
Ec number
207-448-8
Echa substance infocard id
100.006.773
Encyclopedia of china (third edition) id
414108
Freebase id
/m/0f5hl_
Guide to pharmacology ligand id
3945
Human metabolome database id
HMDB0030094
Inchi
InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
Inchikey
QGJZLNKBHJESQX-FZFNOLFKSA-N
Kegg id
C08619
Knapsack id
C00003741
Lipid maps id
LMPR0106140004
Mesh descriptor id
D000094062
Mesh tree code
D02.455.849.919.530.600.500
Microsoft academic id (discontinued)
2777829905
Nmrshiftdb structure id
40265324
Nsc number
113090
Openalex id
C2777829905
Pdb ligand id
06L
Probes and drugs id
PD003655
Pubchem cid
64971
Reaxys registry number
2711110
Splash
splash10-004i-0019400000-ee21dd04b1d86daed076, splash10-004i-0009100000-92c67afe2bbf221d0138, splash10-004i-0009100000-8c5d9f4904c95254a56d, splash10-0udi-0000900000-1fa54aa91491ebce88bc, splash10-0udi-0000900000-e9a9ee7bfe5d148d5478, splash10-06vi-0009700000-36a6dc735b6d8838140d, splash10-06vr-0019800000-18f315416aff296ff601, splash10-0a4i-0000411190-29e63eb2b123e4257117, splash10-0a4i-0000511290-bafdf292eb535ef1d1c5, splash10-004i-0119300000-d0dbc4da59e1ea240be6, splash10-004i-0119400000-97f0c510c303b28d5da5, splash10-0udi-0000900000-fb3e63fce06f14cfded0, splash10-0udi-0000900000-6f0040b993658446875b, splash10-01p9-0000900000-36208703ade2df5795fa, splash10-01p9-0000900000-a998e122b7b1343c147b, splash10-0a4r-0920300000-e3035523b40f714793c7
Surechembl id
61767
Umls cui
C0053530
Unichem compound id
470040
Unii
4G6A18707N