LIPID MAPS

Structure Database (LMSD)

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Common Name

Neritaloside

Systematic Name

3β-O-(d-digitalosyl)-14β-hydroxy-16β-acetoxy-5β-card-20(22)-enolide

Synonyms

16-Acetylstrospeside

LM ID

LMST01120028

Formula

C₃₂H₄₈O₁₀

Exact Mass

Calculate m/z

592.32475

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

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Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Nerium oleander (#63479)

Magnoliopsida (#3398)

Cardenolides from the methanolic extract of Nerium oleander leaves possessing central nervous system depressant activity in mice.,
J Nat Prod, 1997

Pubmed ID: 9214727

String Representations

InChiKey (Click to copy)

UZQOZJNEDXAJEZ-VZJXLKLWSA-N

InChi (Click to copy)

InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16-,19-,20+,21+,22-,23+,25+,26+,27-,28+,29+,30+,31-,32+/m1/s1

SMILES (Click to copy)

C1C[C@H](O[C@H]2[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O2)C[C@@]2([H])CC[C@@]3([H])[C@]4(C[C@H](OC(=O)C)[C@H](C5=CC(=O)OC5)[C@@]4(C)CC[C@]3([H])[C@@]12C)O