Adonitoxin

Molecular Formula: C₂₉H₄₂O₁₀

InChI: InChI=1/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22+,23+,24-,25-,26+,27-,28-,29+/m1/s1

InChIKey: InChIKey=ARANEVHRNOGYRH-UXFPZPNJBB
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C=O)O)O)O

Names:
    Adonitoxigenin 3-O-alpha-L-rhamnoside
    Adonitoxin
    C08843
    (3S,5R,8R,9S,10R,13R,14S,16S,17S)-14,16-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
    17651-61-5

Registries:
    PubChem CID 441838
    PubChem ID 11036