LIPID MAPS

Structure Database (LMSD)

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Systematic Name

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

Synonyms

LM ID

LMST01090014

Formula

C₃₉H₆₄O₁₅

Exact Mass

Calculate m/z

772.424525

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

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

String Representations

InChiKey (Click to copy)

CUNUDMSLBOGLFM-ZGZXFPDYSA-N

InChi (Click to copy)

InChI=1S/C39H64O15/c1-17-27-23(53-39(17)10-9-36(2,54-39)16-49-34-32(47)30(45)28(43)24(14-40)51-34)13-22-20-6-5-18-11-19(50-35-33(48)31(46)29(44)25(15-41)52-35)12-26(42)38(18,4)21(20)7-8-37(22,27)3/h17-35,40-48H,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([H])C[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C1)C