Properties
Canonical smiles
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O
Chemical formula
C₃₀H₄₈O₄
Found in taxon
Prunella vulgaris, Isodon henryi, common myrtle, Chaenomeles sinensis, Dracocephalum kotschyi, Melaleuca leucadendra, Monochaetum vulcanicum, Olea europaea, Psidium guajava, Ternstroemia gymnanthera, Actinidia polygama, Agrimonia pilosa, Alchemilla alpina, Alchemilla faeroensis, Alchemilla vulgaris, Arnebia euchroma, Callicarpa pentandra, Cowania mexicana, Purshia mexicana, Crataegus pinnatifida, Diospyros melanoxylon, Elsholtzia ciliata, Enkianthus cernuus, Eriobotrya japonica, Eucalyptus occidentalis, Eucalyptus perriniana, Eucalyptus robusta, Ficus pumila, Geum japonicum, Hedyotis lawsoniae, Hyptis capitata, Condea verticillata, Isodon adenanthus, Isodon eriocalyx, Isodon loxothyrsus, Isodon phyllostachys, Isodon sculponeatus, Lagerstroemia speciosa, Lepechinia caulescens, Leptospermum scoparium, Salvia dianthera, Musanga cecropioides, Nepeta eriostachya, Cryptolepis nigrescens, Perovskia atriplicifolia, Polylepis incana, Potentilla fruticosa, Potentilla tormentilla, Prunus africana, Prunus zippeliana, Scarlet firethorn, Isodon rubescens, Isodon serra, Rosa davidii, Rosa davurica, Rosa laevigata, Rosa taiwanensis, Rosa transmorrisonensis, Rubus parvifolius, Rubus ulmifolius, Salvia canariensis, Salvia carduacea, Salvia hierosolymitana, Salvia paramiltiorrhiza, Shorea robusta, Sorbus aucuparia, Symphoricarpos albus, Terminalia chebula, Terminalia glabrescens, Tiarella polyphylla, Trema micrantha, Trema orientale, Tripterygium wilfordii, Complex-toothed flying squirrel, Vismia guianensis, Vitex altissima, Vitex peduncularis, Vochysia ferruginea, Crepidiastrum chelidoniifolium, Ziziphus jujuba, Euscaphis japonica, Rhododendron brachycarpum, Rhododendron ferrugineum, Symplocos lancifolia, Actinidia chinensis, Baccharis dracunculifolia, Dolichandra unguis-cati, Careya arborea, Centella asiatica, Cunila lythrifolia, Cydonia oblonga, Cydonia vulgaris, Dipterocarpus hispidus, Eucalyptus exserta, Gentiana dahurica, Juglans regia, Photinia serratifolia, Photinia serrulata, Planchonella duclitan, Premna tomentosa, Prunus dulcis, Prunus serrulata var. spontanea, Justicia procumbens, Salvia cana, Salvia miltiorrhiza, Salvia virgata, Symplocos paniculata, Ugni molinae, Viburnum erubescens, Vitex agnus-castus, Perilla frutescens var. frutescens, Actinidia valvata, Licania cariae, Moquilea cariae, Prunus serrulata f. spontanea, Vitex negundo, Gentiana davidii var. formosana, Salvia officinalis, Polylepis besseri, Geum macrophyllum, Alchemilla monticola, Alchemilla xanthochlora, Potentilla erecta, Dasiphora fruticosa, Moquilea pyrifolia, Photinia glabra, Prunus avium, Lamiaceae, Agastache rugosa
Isomeric smiles
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
Mass
+472.35526
Stereoisomer of
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid, (1S,2R,4aS,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid, (1S,2R,4aS,6aR,6aS,6bR,8aS,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid, (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid, 3-Epicorosolic acid, (1R,2S,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid, Pygenic acid A
External References (20)
Cas registry number
4547-24-4
Chebi id
67895
Chembl id
CHEMBL391533
Chemspider id
5293965
Dsstox compound identifier
DTXCID501332027
Dsstox substance id
DTXSID70904142
Ec number
610-253-4
Echa substance infocard id
100.125.730
Freebase id
/m/0hrg9b1
Human metabolome database id
HMDB0304746
Inchi
InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
Inchikey
HFGSQOYIOKBQOW-ZSDYHTTISA-N
Massbank accession id
MSBNK-BS-BS003185, MSBNK-BS-BS003186, MSBNK-BS-BS003187, MSBNK-BS-BS003188, MSBNK-BS-BS003189, MSBNK-BS-BS003190
Microsoft academic id (discontinued)
2778616197
Probes and drugs id
PD052380
Pubchem cid
6918774
Splash
splash10-00di-0000900000-e570b14aa4aa43281f38, splash10-00di-0000900000-151c3f0e61b7d1b62e83, splash10-00di-0000900001-1a07defbf0bf868504d8, splash10-00di-0000900000-1c605655d304a7330562, splash10-00di-0000900000-996c8326bfd2bc120b37
Surechembl id
335528
Unichem compound id
106553
Unii
AMX2I57A98