Description
IUPAC Name: (2S,3R,5R,8R,9S,10R,13R,14R,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
InChI: InChI=1S/C27H46O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h15-17,19-22,29-34H,6-14H2,1-5H3/t15-,16+,17-,19+,20-,21-,22?,24+,25+,26+,27+/m0/s1
InChIKey: BQBNNBSUBAJFJD-CGXRJQGPSA-N
Canonical SMILES: CC12CCC3C(C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O)CC(=O)C4C3(CC(C(C4)O)O)C
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@]1(CC[C@@H]2[C@](C)(C(CCC(C)(C)O)O)O)O)CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C
Synonyms: 457603-63-3; (2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxycholestan-6-one
Botanical Source: