Description
IUPAC Name: (6S)-6-hydroxy-2-methyl-4-oxo-6-[(3S,7S,10S,12S,13R,14R,17S)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
InChI: InChI=1S/C30H44O9/c1-14(25(37)38)10-15(31)13-28(5,39)18-12-20(34)30(7)21-16(32)11-17-26(2,3)19(33)8-9-27(17,4)22(21)23(35)24(36)29(18,30)6/h14,16-19,24,32-33,36,39H,8-13H2,1-7H3,(H,37,38)/t14?,16-,17?,18+,19-,24+,27-,28-,29-,30-/m0/s1
InChIKey: HHCQRNABFNZPFW-PVWQPZRVSA-N
Canonical SMILES: CC(CC(=O)CC(C)(C1CC(=O)C2(C1(C(C(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)O)C)C)O)C(=O)O
Isomeric SMILES: CC(CC(=O)C[C@@](C)([C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](CC4[C@@]3(CC[C@@H](C4(C)C)O)C)O)O)C)C)O)C(=O)O
Synonyms: 400604-12-8; (6S)-6-hydroxy-2-methyl-4-oxo-6-[(3S,7S,10S,12S,13R,14R,17S)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid; FS-7208
Botanical Source: