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Substance Name: Gymnemic acid XIII
RN: 155023-61-3
UNII: 7LJ084DV2X
InChIKey: DAEICXOPEYOMGC-DDRSIQBQSA-N

Molecular Formula

  • C41-H66-O13

Molecular Weight

  • 766.9594
 
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Names and Synonyms

Name of Substance

  • Gymnemic acid XIII

Synonyms

  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-16,21,22,23-tetrahydroxy-28-((2S)-2-methyl-1-oxobutoxy)olean-12-en-3-yl
  • Gymnemic acid XIII
  • Gymnemic acid XIII (constituent of gymnema) [DSC]
  • UNII-7LJ084DV2X

Registry Numbers

CAS Registry Number

  • 155023-61-3

FDA UNII

  • 7LJ084DV2X

System Generated Number

  • 0155023613

Structure Descriptors

InChI

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

InChIKey

DAEICXOPEYOMGC-DDRSIQBQSA-N

Smiles

CC[C@H](C)C(=O)OC[C@@]12[C@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)C)[C@@H]1CC([C@H]([C@@H]2O)O)(C)C)C)O