Nicotinic acid, ester with strophanthidin

Molecular Formula: C29H35NO7


InChI: InChI=1/C29H35NO7/c1-26-8-5-22-23(29(26,35)11-7-21(26)19-13-24(32)36-16-19)6-10-28(34)14-20(4-9-27(22,28)17-31)37-25(33)18-3-2-12-30-15-18/h2-3,12-13,15,17,20-23,34-35H,4-11,14,16H2,1H3/t20-,21+,22u,23u,26+,27-,28-,29-/m0/s1

InChIKey: InChIKey=KZDOGGYMASNQGM-YJKVGUKWBJ
SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)C6=CN=CC=C6)C=O)O

Names:
    BRN 0070085
    Card-20(22)-enolide, 5,14-dihydroxy-19-oxo-3-((3-pyridinylcarbonyl)oxy)-, (3-beta,5-beta)-
    CARD-20(22)-ENOLIDE, 5,14-DIHYDROXY-19-OXO-3-((3-PYRIDINYLCARBONYL)OXY)-, (3-bet
    Go 2616
    Nicotinic acid, ester with strophanthidin
    Strophanthidin-3-nicotinate
    (3-beta,5-beta)-5,14-Dihydroxy-19-oxo-3-((3-pyridinylcarbonyl)oxy)card-20(22)-enolide
    21515-43-5
    4-22-00-00385 (Beilstein Handbook Reference)
    5-beta-Card-20(22)-enolide, 19-oxo-3-beta,5,14-trihydroxy-, 3-nicotinate
    [(3S,5S,10R,13R,14S,17S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pyridine-3-carboxylate

Registries:
    PubChem CID 30672
    PubChem ID 172771