Digitoxigenin 3-acetylaminoacetate

Molecular Formula: C₂₇H₃₉NO₆

InChI: InChI=1/C27H39NO6/c1-16(29)28-14-24(31)34-19-6-9-25(2)18(13-19)4-5-22-21(25)7-10-26(3)20(8-11-27(22,26)32)17-12-23(30)33-15-17/h12,18-22,32H,4-11,13-15H2,1-3H3,(H,28,29)/t18-,19+,20-,21u,22u,25+,26-,27+/m1/s1/f/h28H

InChIKey: InChIKey=KQQSYNFZOHWYHT-DYAUFXIDDY
SMILES: CC(=O)NCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)C

Names:
    Digitoxigenin 3-acetylaminoacetate
    Digitoxigenin-3-beta-N-acetylglycyl ester
    3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with N-acetylglycine
    42716-84-7
    5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-(ACETAMIDOACETATE) (ester)
    [(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] 2-acetamidoacetate

Registries:
    PubChem CID 39243
    PubChem ID 180288