LIPID MAPS

Structure Database (LMSD)

Common Name

Gymnemic acid II

Systematic Name

(3β,4α,16β,21β,22α)-28-acetoxy-16,22,23-trihydroxy-21-((2S)-2-methyl-1-oxobutoxy)olean-12-en-3-yl-β D-glucopyranosiduronic acid

Synonyms

LM ID

LMPR0106150072

Formula

C₄₃H₆₈O₁₄

Exact Mass

Calculate m/z

808.460911

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Gymnema sylvestre (#4068)

Magnoliopsida (#3398)

Isolation and structure elucidation of gymnemic acids, antisweet principles of Gymnema sylvestre.,
Chem Pharm Bull (Tokyo), 1992

Pubmed ID: 1327559

String Representations

InChiKey (Click to copy)

IWLKKMZNFBKYCF-GAZXINLWSA-N

InChi (Click to copy)

InChI=1S/C43H68O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h11,21,24-34,37,44,46-50H,10,12-20H2,1-9H3,(H,51,52)/t21-,24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1

SMILES (Click to copy)

C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)[C@@H](OC([C@@H](C)CC)=O)[C@H](O)[C@]5(COC(C)=O)[C@@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O