Arenobufagin

Molecular Formula: C24H32O6


InChI: InChI=1/C24H32O6/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/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17u,19?,20+,22+,23+,24+/m1/s1

InChIKey: InChIKey=JGDCRWYOMWSTFC-HYUJWWKEBB
SMILES: CC12CCC(CC1CCC3C2C(C(=O)C4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O

Names:
    Arenobufagin
    Bufa-20,22-dienolide, 3,11,14-trihydroxy-12-oxo- (3-beta,5-beta,11-alpha)- (9CI)
    12-Oxo-3-beta,11-alpha,14-trihydroxy-5-beta-bufa-20,22-dienolide
    464-74-4
    5-beta-BUFA-20,22-DIENOLIDE, 12-OXO-3-beta,11-alpha,14-TRIHYDROXY-
    5-[(3S,5R,10S,11S,13R,14S,17S)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

Registries:
    PubChem CID 10051
    PubChem ID 153285