Description
IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
InChI: InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13+,15+,17-,18+,19-,20-,21-/m1/s1
InChIKey: VNLQNGYIXVTQRR-NQPIQAHSSA-N
Canonical SMILES: CC(=O)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O
Isomeric SMILES: CC(=O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O
Synonyms: Poststerone; 10162-99-9; 2beta,3beta,14-trihydroxy-5beta-pregn-7-ene-6,20-dione; SCHEMBL13649196; CHEBI:27709; DTXSID50906402; HY-N10040; LMST02030165; …
Botanical Source: