LIPID MAPS

Structure Database (LMSD)

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Common Name

Mantuoluoside C

Systematic Name

7α,22R-dihydroxy- ergost-5,24E-diene 3,27-O-β-D-glucopyranoside

Synonyms

(20S,22R,24E)-7alpha,22alpha-dihydroxyergost-5,24-diene-3,27-O-beta-D-glucopyranoside

LM ID

LMST01031287

Formula

C₄₀H₆₆O₁₄

Exact Mass

Calculate m/z

770.44526

Sum Composition

ST 28:2;O4;Hex(2)

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Datura stramonium (#4076)

Magnoliopsida (#3398)

Mantuoluosides A-H, new steroids isolated from the leaves of Datura stramonium L.,
Fitoterapia, 2022

Pubmed ID: 36272704

String Representations

InChiKey (Click to copy)

UCMDMYVDPCGQAP-VJHBBKCSSA-N

InChi (Click to copy)

InChI=1S/C40H66O14/c1-18(19(2)17-51-37-35(49)33(47)31(45)28(15-41)53-37)12-26(43)20(3)23-6-7-24-30-25(9-11-40(23,24)5)39(4)10-8-22(13-21(39)14-27(30)44)52-38-36(50)34(48)32(46)29(16-42)54-38/h14,20,22-38,41-50H,6-13,15-17H2,1-5H3/b19-18+/t20-,22-,23+,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40+/m0/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@H](O)C/C(/C)=C(\C)/CO[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@@H](O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C1