Digitoxigenin acetate

Molecular Formula: C₂₅H₃₆O₅

InChI: InChI=1/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17-,18+,19-,20u,21u,23+,24-,25+/m1/s1

InChIKey: InChIKey=WJOGTCZNZPHODB-ARMHMIHABE
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)C

Names:
    BRN 0097888
    Card-20(22)-enolide, 3-(acetyloxy)-14-hydroxy-, (3-beta,5-beta)-
    Digitoxigenin acetate
    Digitoxigenin-3-acetate
    EINECS 212-363-4
    3-Acetyldigitoxigenin
    3-beta-Acetoxy-14-hydroxy-5-beta,14-beta-card-20(22)-enolide
    3-O-Acetyldigitoxigenin
    4-18-00-01472 (Beilstein Handbook Reference)
    5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-ACETATE
    [(3S,5R,10S,13R,14S,17S)-14-hydroxy-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 13125
    PubChem ID 156478