4-18-00-02458 (Beilstein Handbook Reference)

Molecular Formula: C25H36O6


InChI: InChI=1/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-18(23)7-9-24(3)22(15-10-21(28)30-13-15)20(27)12-25(19,24)29/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18u,19u,20+,22+,23+,24-,25+/m1/s1

InChIKey: InChIKey=IBVUJOOHHPQIOV-OOBICLGBBS
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)O)O)C)C

Names:
    BRN 0061015
    1059-21-8
    3-beta,14,16-beta-Trihydroxy-5-beta-card-20(22)-enolide 3-acetate
    3-Monoacetylgitoxigenin
    4-18-00-02458 (Beilstein Handbook Reference)
    5-beta-CARD-20(22)-ENOLIDE, 3-beta,14,16-beta-TRIHYDROXY-, 3-ACETATE
    [(3S,5R,10S,13R,14S,16S,17S)-14,16-dihydroxy-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] acetate

Registries:
    PubChem CID 13993
    PubChem ID 157301