Description
IUPAC Name: (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
InChI: InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1
InChIKey: BHVJSLPLFOAMEV-UHIFYLTQSA-N
Canonical SMILES: CC1(C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
Isomeric SMILES: C[C@]12CC[C@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)(C)C(=O)O
Synonyms: Bryonolic acid; 20-epi-Bryonolic acid; 24480-45-3; (2s,4as,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid; J7YR6A878I; (2S-(2alpha,4aalpha,6aalpha,8abeta,10alpha,12aalpha,14abeta,14balpha))-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-Eicosahydro-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-2-picenecarboxylic acid; BIO-ACTIVE BA; 3beta-Hydroxy-D-C-friedoolean-8-en-29-oic acid; …
Botanical Source: