Description
IUPAC Name: [(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-3,11,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
InChI: InChI=1S/C29H46O8/c1-15(2)7-8-24(34)28(6,35)23-9-10-29(36)18-12-19(31)17-11-20(32)22(37-16(3)30)14-26(17,4)25(18)21(33)13-27(23,29)5/h12,15,17,20-25,32-36H,7-11,13-14H2,1-6H3/t17-,20+,21+,22-,23-,24+,25+,26-,27+,28+,29+/m0/s1
InChIKey: OJHBARZZNBDVOD-FKKYEMARSA-N
Canonical SMILES: CC(C)CCC(C(C)(C1CCC2(C1(CC(C3C2=CC(=O)C4C3(CC(C(C4)O)OC(=O)C)C)O)C)O)O)O
Isomeric SMILES: CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(C[C@H]([C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)OC(=O)C)C)O)C)O)O)O
Synonyms: AJUGASTERONE C 2-ACETATE; 154510-93-7; HY-N12156; DA-50284; CS-0892547; E80193
Botanical Source: