peruvoside

[1. Toxic cardiac glycoside found in Thevetia peruviana.

Molecular Formula: C₃₀H₄₄O₉

InChI: InChI=1/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21u,22u,24-,25-,26+,27+,28+,29+,30-/m0/s1

InChIKey: InChIKey=PMTSPAGBAFCORP-RSCFJOQEBA
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)OC)O

Names:
    peruvoside
    (3S,5R,10R,13R,14S,17S)-3-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Registries:
    PubChem CID 5702166
    PubChem ID 8149711