Description
IUPAC Name: 5-[(3S,5R,8R,10S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
InChI: InChI=1S/C24H30O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,22+,23+,24+/m1/s1
InChIKey: UJNYXLCWBDUNMH-UQPKIQGCSA-N
Canonical SMILES: CC12CCC(CC1CCC3C2=C(C(=O)C4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O
Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3C2=C(C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
Synonyms: ARGENTINOGENIN; Argentinogen; 4236-48-0; 5-[(3S,5R,8R,10S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one; Bufa-9(11),20,22-trienolide, 3,11,14-trihydroxy-12-oxo-, (3beta,5beta)-; CHEMBL2385660; EX-A6011; HY-N9358; …
Botanical Source: