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
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