Lanadigenin

PubChem Notes:

Digoxigenin 3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.

Molecular Formula: C23H34O5


InChI: InChI=1/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1

InChIKey: InChIKey=SHIBSTMRCDJXLN-KCZCNTNEBN
SMILES: CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O

Names:
    BRN 0096479
    Digoxigenine
    Digoxigenin
    EINECS 216-806-2
    HSDB 7108
    Lanadigenin
    3-beta,12,14-Trioxy-carden-(20:22)-olid [German]
    3-beta,12,14-Trioxy-digen-(20:22)-olid [German]
    3-beta,12-beta,14-Trihydroxy-card-20(22)-enolide
    4-[(3S,5R,8R,9S,10S,12R,13S,14S,17S)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
    5-18-04-00380 (Beilstein Handbook Reference)

Registries:
    PubChem CID 15478
    PubChem ID 158796