LIPID MAPS

Systematic Name

26-O-β-d-glucopyranosyl-(22S, 25S)-furostan-22,25-epoxy-1β,3α,5β,26-tetrol-3-O-β-d-glucopyranoside

Synonyms

LM ID

LMST01090012

Status

Active

Exact Mass

Calculate m/z

788.41944

Formula

C₃₉H₆₄O₁₆

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

WSUBIRDCWXZXPM-WWXIWUKASA-N

InChi (Click to copy)

InChI=1S/C39H64O16/c1-17-26-22(54-39(17)10-9-35(2,55-39)16-50-33-31(47)29(45)27(43)23(14-40)52-33)12-21-19-5-8-38(49)13-18(51-34-32(48)30(46)28(44)24(15-41)53-34)11-25(42)37(38,4)20(19)6-7-36(21,26)3/h17-34,40-49H,5-16H2,1-4H3/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@H]1(O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@@](CO[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)(C)CC6)O[C@H]5C[C@@]4([H])[C@]3([H])CC[C@]2(O)C[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C1)C

Reference

Furospirostanol and spirostanol saponins from the rhizome of Tupistra chinensis and their cytotoxic and anti-inflammatory activities
Tetrahedron 2016
DOI: 10.1016/j.tet.2015.11.012

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rohdea chinensis (#927809)

Magnoliopsida (#3398)

Furospirostanol and spirostanol saponins from the rhizome of Tupistra chinensis and their cytotoxic and anti-inflammatory activities,
Tetrahedron, 2016

DOI: 10.1016/j.tet.2015.11.012