i-Valeryl-k-strophanthidin

Molecular Formula: C₂₈H₄₀O₇

InChI: InChI=1/C28H40O7/c1-17(2)12-24(31)35-19-4-9-26(16-29)21-5-8-25(3)20(18-13-23(30)34-15-18)7-11-28(25,33)22(21)6-10-27(26,32)14-19/h13,16-17,19-22,32-33H,4-12,14-15H2,1-3H3/t19-,20+,21u,22u,25+,26-,27-,28-/m0/s1

InChIKey: InChIKey=WPPFRCIRFVQANO-XCAZBMJEBI
SMILES: CC(C)CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O

Names:
    BRN 0067858
    i-Valeryl-k-strophanthidin
    k-Strophanthidin, isovaleryl-
    4-18-00-03131 (Beilstein Handbook Reference)
    5-beta-Card-20(22)-enolide, 5,14-dihydroxy-3-beta-(3-methyl-1-oxobutoxy)-19-oxo-, (3-beta,5-beta)-
    5-beta-CARD-20(22)-ENOLIDE, 5,14-DIHYDROXY-3-beta-(3-METHYL-1-OXOBUTOXY)-19-OXO-
    63979-73-7
    [(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] 3-methylbutanoate

Registries:
    PubChem CID 45937
    PubChem ID 185691