bufalin

Molecular Formula: C₂₄H₃₄O₄

InChI: InChI=1/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19u,20u,22+,23-,24+/m1/s1

InChIKey: InChIKey=QEEBRPGZBVVINN-SOIYLKBMBZ
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O

Names:
    BRN 5141601
    bufalin
    Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)- (9CI)
    Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)- (9CI)
    NSC 89595
    3,14-Dihydroxy-bufa-20,22-dienolide
    3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide
    465-21-4
    5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy- (8CI)
    5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14-DIHYDROXY-
    5-[(3S,5R,10S,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Registries:
    PubChem CID 10061
    PubChem ID 153295