LIPID MAPS

Structure Database (LMSD)

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Common Name

Asclepin

Systematic Name

Synonyms

3'-O-Acetylcalotropin

LM ID

LMST01120051

Formula

C₃₁H₄₂O₁₀

Exact Mass

Calculate m/z

574.277801

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Pergularia tomentosa (#264979)

Magnoliopsida (#3398)

Cardenolide glycosides from Pergularia tomentosa and their proapoptotic activity in Kaposi's sarcoma cells.,
J Nat Prod, 2006

Pubmed ID: 16989527

String Representations

InChiKey (Click to copy)

OXKMZIABKYHLAR-SVDYBJNLSA-N

InChi (Click to copy)

InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1

SMILES (Click to copy)

C1[C@@]2([H])O[C@@]3(O)[C@@H](OC(C)=O)C[C@@H](C)O[C@@]3([H])O[C@]2([H])C[C@]2([H])CC[C@@]3([H])[C@]4(CC[C@H](C5=CC(=O)OC5)[C@@]4(C)CC[C@]3([H])[C@@]12C=O)O