LIPID MAPS

Structure Database (LMSD)

Common Name

Gymnemic acid III

Systematic Name

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

Synonyms

LM ID

LMPR0106150073

Formula

C₄₁H₆₆O₁₃

Exact Mass

Calculate m/z

766.450346

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)

VLXWTKUXVXJELF-DDRSIQBQSA-N

InChi (Click to copy)

InChI=1S/C41H66O13/c1-9-20(2)34(51)54-32-31(48)41(19-43)22(16-36(32,3)4)21-10-11-24-37(5)14-13-26(52-35-29(47)27(45)28(46)30(53-35)33(49)50)38(6,18-42)23(37)12-15-39(24,7)40(21,8)17-25(41)44/h10,20,22-32,35,42-48H,9,11-19H2,1-8H3,(H,49,50)/t20-,22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,35+,37-,38-,39+,40+,41-/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(CO)[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