16-Monoacetyldiginatigenin

Molecular Formula: C₂₅H₃₆O₇

InChI: InChI=1/C25H36O7/c1-13(26)32-19-11-25(30)17-5-4-15-9-16(27)6-7-23(15,2)18(17)10-20(28)24(25,3)22(19)14-8-21(29)31-12-14/h8,15-20,22,27-28,30H,4-7,9-12H2,1-3H3/t15-,16+,17u,18u,19?,20-,22+,23+,24-,25+/m1/s1

InChIKey: InChIKey=BOMSEUWJUZCEOA-VJOUXYMBBX
SMILES: CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CC(C2(C1C5=CC(=O)OC5)C)O)C)O)O

Names:
    BRN 1670073
    102281-00-5
    16-Monoacetyldiginatigenin
    3-beta,12-beta,14,16-Tetrahydroxy-5-beta-card-20(22)-enolide 16-acetate
    5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14,16-TETRAHYDROXY-, 16-ACETATE
    [(3S,5R,10S,12R,13S,14S,17S)-3,12,14-trihydroxy-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-16-yl] acetate

Registries:
    PubChem CID 59291
    PubChem ID 195903