Bufalin 3-hemisuccinate

Molecular Formula: C₂₈H₃₈O₇

InChI: InChI=1/C28H38O7/c1-26-12-9-19(35-25(32)8-6-23(29)30)15-18(26)4-5-22-21(26)10-13-27(2)20(11-14-28(22,27)33)17-3-7-24(31)34-16-17/h3,7,16,18-22,33H,4-6,8-15H2,1-2H3,(H,29,30)/t18-,19+,20u,21+,22-,26+,27-,28+/m1/s1/f/h29H

InChIKey: InChIKey=OYIGRQUNGJYTTR-NHVAADTNDE
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)OC(=O)CCC(=O)O

Names:
    Bufalin 3-hemisuccinate
    Bufalin, 3-hemisuccinate
    BUFALIN-3-HEMISUCCINATE
    NSC234668
    4-[[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
    60617-83-6

Registries:
    PubChem CID 314798
    PubChem ID 133679