Description
IUPAC Name: (2S,3R,5R,9R,10R,13S,14R)-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-6,17-dione
InChI: InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,17+,18+,19+/m0/s1
InChIKey: OMQCWEJQYPUGJG-DTDIXVHCSA-N
Canonical SMILES: CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2=O)O
Isomeric SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CCC2=O)O
Synonyms: Rubrosterone; 19466-41-2; Rubrosteron; 5.beta.-Androst-7-ene-6,17-dione, 2.beta.,3.beta.,14-trihydroxy-; Androst-7-ene-6,17-dione, 2,3,14-trihydroxy-, (2.beta.,3.beta.,5.beta.)-; (2S,3R,5R,9R,10R,13S,14R)-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-6,17-dione; ND477TPA7H; 2,3,14-Trihydroxyandrost-7-ene-6,17-dione #; …
Botanical Source: Achyranthes bidentata Bl.