LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2α,3β,24-trihydroxyursan-12-en-28-oic acid 28-O-β-d-glucopyranosyl-(1-2)-β-d-glucopyranoside

Synonyms

LM ID

LMPR0106180026

Formula

C₄₂H₆₈O₁₅

Exact Mass

Calculate m/z

812.455825

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Salacia cf. cochinchinensis MR-2013 (#1341829)

Magnoliopsida (#3398)

Four new triterpene glucosides from Salacia cochinchinensis Lour.,
Nat Prod Res, 2020

Pubmed ID: 33043693

String Representations

InChiKey (Click to copy)

YDLIVTUXVPABTR-XXDREOGNSA-N

InChi (Click to copy)

InChI=1S/C42H68O15/c1-19-9-12-42(37(53)57-36-33(31(50)29(48)24(17-44)55-36)56-35-32(51)30(49)28(47)23(16-43)54-35)14-13-40(5)21(27(42)20(19)2)7-8-26-38(3)15-22(46)34(52)39(4,18-45)25(38)10-11-41(26,40)6/h7,19-20,22-36,43-52H,8-18H2,1-6H3/t19-,20+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36+,38+,39-,40-,41-,42+/m1/s1

SMILES (Click to copy)

C1[C@@H](O)[C@H](O)[C@@](CO)(C)[C@]2([H])CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC[C@@H](C)[C@H](C)[C@@]5([H])C4=CC[C@]3([H])[C@@]12C