Description
IUPAC Name: 5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
InChI: InChI=1S/C24H34O5/c1-21-9-5-16(25)13-23(21,27)11-7-19-18(21)6-10-22(2)17(8-12-24(19,22)28)15-3-4-20(26)29-14-15/h3-4,14,16-19,25,27-28H,5-13H2,1-2H3/t16-,17+,18-,19+,21+,22+,23-,24-/m0/s1
InChIKey: PBSOJKPTQWWJJD-ZBDZJSKLSA-N
Canonical SMILES: CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O
Isomeric SMILES: C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
Synonyms: Telocinobufagin; 472-26-4; Telocinobufogenin; Telecinobufagin; CHEBI:80908; 3beta,5beta,14-trihydroxy-bufa-20,22-dienolide; Telobufotoxin;Telocinobufogenin; 3beta,5,14-Trihydroxy-5beta-bufa-20,22-dienolide; …
Botanical Source: Bufonis Venenum