LIPID MAPS

Structure Database (LMSD)

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Common Name

beta-Sitosterol 3-O-beta-D-galactopyranoside

Systematic Name

stigmast-5-en-3β-yl β-D-galactopyranoside

Synonyms

Sitosteryl ?-D-galactoside

LM ID

LMST01040251

Formula

C₃₅H₆₀O₆

Exact Mass

Calculate m/z

576.43899

Sum Composition

ST 29:1;O;Hex

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Hibiscus sabdariffa (#183260)

Magnoliopsida (#3398)

Sitosterol-beta-d-galactoside from Hibiscus sabdariffa,
Phytochemistry, 1975

DOI: 10.1016/0031-9422(75)83056-1

String Representations

InChiKey (Click to copy)

NPJICTMALKLTFW-MXYGQONUSA-N

InChi (Click to copy)

InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-/m1/s1

SMILES (Click to copy)

O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C1