Hellebrigenin 3-acetate

Molecular Formula: C₂₆H₃₄O₇

InChI: InChI=1/C26H34O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14-15,18-21,30-31H,5-13H2,1-2H3/t18-,19+,20u,21u,23+,24-,25-,26-/m0/s1

InChIKey: InChIKey=VIOBLZMEZRNYRR-FGYDVGASBY
SMILES: CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=COC(=O)C=C5)C)C=O

Names:
    BRN 0065090
    Bufa-20,22-dienolide, 3-(acetyloxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)- (9CI)
    Hellebrigenin 3-acetate
    HELLEBRIGENIN-3-ACETATE
    NSC 106676
    19-Oxo-3-beta,5,14-trihydroxy-5-beta-bufa-20,22-dienolide-3-acetate
    4-18-00-03180 (Beilstein Handbook Reference)
    4064-09-9
    5beta-Bufa-20,22-dienolide, 3beta,5,14-trihydroxy-19-oxo-, 3-acetate (8CI)
    5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14-TRIHYDROXY-19-OXO-, 3-ACETATE
    [(3S,5S,10R,13R,14S,17S)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Registries:
    PubChem CID 19985
    PubChem ID 162837