Properties
Canonical smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C
Chemical formula
C₃₀H₄₈O₄
Found in taxon
Prunella vulgaris, Geum japonicum, Salvia grandiflora, Lamiaceae, Lavandula multifida, Akebia trifoliata, Anisomeles indica, Baccharis linearis, Bidens subalternans, Byrsonima crassifolia, Chaenomeles sinensis, Cornus capitata, Diospyros melanoxylon, Eriobotrya japonica, Eucalyptus albens, Eucalyptus camaldulensis, Eucalyptus globulus, Eucalyptus leucoxylon, Eucalyptus obliqua, Eucalyptus ovata, Eucalyptus perriniana, Eucalyptus polyanthemos, Eucalyptus sideroxylon, Eucalyptus viminalis, Euptelea polyandra, Hyptis brevipes, Hyptis capitata, Hyptis mutabilis, Condea verticillata, Isodon flavidus, Lagerstroemia speciosa, Lepechinia caulescens, Moquilea licaniaeflora, Ligusticum lucidum, Ligustrum obtusifolium, Luehea divaricata, Luma chequen, Lyonia ovalifolia, Melaleuca leucadendra, Salvia dianthera, Mucuna birdwoodiana, Muntingia calabura, Musanga cecropioides, Myrianthus serratus, Myrica rubra, Ocimum spicatum, Olea verrucosa, Orphium frutescens, Pourouma guianensis, Prunus africana, pomegranate, Scarlet firethorn, Isodon glutinosus, Isodon yuennanensis, Rosa davurica, Salvia canariensis, Salvia carduacea, Salvia deserta, Salvia hierosolymitana, Salvia oxyodon, Salvia palaestina, Salvia verticillata, Salvia virgata, Salvia willeana, Satureja montana, Schnabelia tetradonta, Scutellaria strigillosa, Syringa reticulata, clove, Terminalia chebula, Terminalia glabrescens, Terminalia pallida, Tetracentron sinense, Thalictrum aquilegiifolium, Thomandersia laurifolia, Complex-toothed flying squirrel, Vitex altissima, Vochysia ferruginea, Ziziphus jujuba, Rosa laevigata, Rubia yunnanensis, Symplocos lancifolia, Ligustrum japonicum, Actinidia chinensis, Aegiceras corniculatum, Buddleja asiatica, Careya arborea, Chaenomeles speciosa, Plectranthus rotundifolius, Katmon, Durio kutejensis, Euphorbia sororia, Nothofagus pumilio, Galphimia glauca, Gentiana dahurica, Juglans regia, Leucas aspera, Microcos paniculata, Photinia serratifolia, Photinia serrulata, Salvia miltiorrhiza, Salvia sahendica, Ulmus pumila, Viburnum cylindricum, Vitex agnus-castus, Ziziphora clinopodioides, Mesosphaerum oblongifolium, Licania cariae, Moquilea cariae, Tripetaleia paniculata, Olea europaea, Syringa oblata, Grewia bilamellata, Morella rubra, Geum macrophyllum, Salvia fulgens, Cantinoa mutabilis, Elliottia paniculata, Salvia tomentosa, Salvia officinalis, Moquilea pyrifolia, Syzygium sandwicense, Photinia glabra, Ligustrum lucidum, Salvia deserti, Syzygium crebrinerve, Syzygium gustavioides, Duboisia myoporoides
Isomeric smiles
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)C
Mass
+472.355
Stereoisomer of
(4aS,6aR,6aS,6bR,8aS,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, epi-maslinic acid, Augustic acid, (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid, (4aS,6aS,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, Bredemolic acid
External References (24)
Cas registry number
4373-41-5
Chebi id
66682
Chembl id
CHEMBL201515
Chemspider id
66312
Cosing number
86706
Dsstox compound identifier
DTXCID101334176
Dsstox substance id
DTXSID30905074
Ec number
610-137-3
Echa substance infocard id
100.128.873
Freebase id
/m/02vsk1v
Hsdb id
8099
Human metabolome database id
HMDB0002392
Inchi
InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
Inchikey
MDZKJHQSJHYOHJ-LLICELPBSA-N
Kegg id
C16939
Lipid maps id
LMPR0106180014
Massbank accession id
MSBNK-RIKEN-PR303806, MSBNK-RIKEN-PR303808, MSBNK-RIKEN-PR303811, MSBNK-RIKEN-PR303814, MSBNK-RIKEN-PR303818, MSBNK-RIKEN-PR303821, MSBNK-RIKEN-PR303824, MSBNK-RIKEN-PR303828, MSBNK-RIKEN-PR303831, MSBNK-RIKEN-PR303834, MSBNK-RIKEN-PR303837, MSBNK-RIKEN-PR303839
Microsoft academic id (discontinued)
2779318985
Probes and drugs id
PD078439
Pubchem cid
73659
Reaxys registry number
2711878
Surechembl id
570425
Unichem compound id
161372
Unii
E233J88OHQ