LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Systematic Name

(25S)-22-O-methoxy-26-O-β-d-glucopyranosyl-5β-furostan-1β,2β,3β,22ε, 26-pentol-1-O-?β-d-xylopyranoside

Synonyms

LM ID

LMST01070041

Formula

C₃₉H₆₆O₁₅

Exact Mass

Calculate m/z

774.440176

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Reineckea carnea (#100494)

Magnoliopsida (#3398)

Two new furostanol saponins from Reineckia carnea.,
Steroids, 2026

Pubmed ID: 42214711

DOI: 10.1016/j.steroids.2026.109806

String Representations

InChiKey (Click to copy)

JZEIKMPRQDJVTQ-NTZOPZJOSA-N

InChi (Click to copy)

InChI=1S/C39H66O15/c1-17(15-50-35-33(48)31(46)30(45)26(14-40)52-35)8-11-39(49-5)18(2)27-25(54-39)13-22-20-7-6-19-12-23(41)29(44)34(38(19,4)21(20)9-10-37(22,27)3)53-36-32(47)28(43)24(42)16-51-36/h17-36,40-48H,6-16H2,1-5H3/t17-,18-,19+,20+,21-,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39?/m0/s1

SMILES (Click to copy)

[C@]12(CC[C@]3([H])C[C@@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3[C@H](C)C(OC)(CC[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C)O[C@H]3C[C@@]21[H])[H]