Acetylcinobufagin

Molecular Formula: C₂₈H₃₆O₇

InChI: InChI=1/C28H36O7/c1-15(29)33-19-9-11-26(3)18(13-19)6-7-21-20(26)10-12-27(4)23(17-5-8-22(31)32-14-17)24(34-16(2)30)25-28(21,27)35-25/h5,8,14,18-21,23-25H,6-7,9-13H2,1-4H3/t18-,19+,20u,21u,23+,24-,25-,26+,27-,28-/m1/s1

InChIKey: InChIKey=DXSNTGMCQRLLQF-INMXPKSABR
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)C(C4C6=COC(=O)C=C6)OC(=O)C)C)C

Names:
    Acetylcinobufagin
    Bufa-20,22-dienolide, 3,16-dihydroxy-14,15-epoxy-, 3,16-diacetate
    Cinobufagin acetate (6CI)
    Cinobufagin, 3-acetyl-
    3-beta,16-beta-Dihydroxy-14,15-beta-epoxy-5-beta-bufa-20,22-dienolide 3,16-diacetate
    4026-97-5
    5-beta-Bufa-20,22-dienolide, 14,15-beta-epoxy-3-beta,16-beta-dihydroxy-, 3,16-diacetate
    5-beta-BUFA-20,22-DIENOLIDE, 14,15-beta-EPOXY-3-beta,16-beta-DIHYDROXY-, 3,16-DI

Registries:
    PubChem CID 19938
    PubChem ID 162795