Hellebrigenol-3-monoacetate

Molecular Formula: C₂₆H₃₆O₇

InChI: InChI=1/C26H36O7/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/h3-4,14,18-21,27,30-31H,5-13,15H2,1-2H3/t18-,19+,20u,21u,23+,24-,25-,26-/m0/s1

InChIKey: InChIKey=GBSYMBLHPNJBLH-FGYDVGASBN
SMILES: CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=COC(=O)C=C5)C)CO

Names:
    BRN 0062469
    Hellebrigeninmonoacetat [German]
    Hellebrigenol-3-monoacetate
    100991-83-1
    3-beta,5,14,19-Tetrahydroxy-5-beta-bufa-20,22-dienolide 3-acetate
    4-18-00-03150 (Beilstein Handbook Reference)
    5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14,19-TETRAHYDROXY-, 3-ACETATE
    [(3S,5S,10S,13R,14S,17S)-5,14-dihydroxy-10-(hydroxymethyl)-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 58136
    PubChem ID 195034