Digoxigenin-3-acetate

Molecular Formula: C₂₅H₃₆O₆

InChI: InChI=1/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-21,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19u,20u,21-,23+,24+,25+/m1/s1

InChIKey: InChIKey=BRPTXGUNXVNFHJ-DNZVSTCNBS
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)C

Names:
    BRN 4724729
    Card-20(22)-enolide, 3-(acetyloxy)-3,14-dihydroxy-, (3-beta,5-beta,12-beta)-
    Digoxigenin-3-acetate
    3-Acetyldigoxigenin
    3-beta,12-beta,14-Trihydroxy-5-beta-card-20(22)-enolide 3-acetate
    3-Monoacetyldigoxigenin
    5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14-TRIHYDROXY-, 3-ACETATE
    80680-86-0
    [(3S,5R,10S,12R,13S,14S,17S)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Registries:
    PubChem CID 54599
    PubChem ID 192153