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Substance Name: Gymnemic acid xi
RN: 147899-35-2
UNII: U06F13N5GR
InChIKey: HXMHDLGRRVPZTP-ZIDNNZLZSA-N

Molecular Formula

  • C46-H70-O14

Molecular Weight

  • 847.045
 
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Names and Synonyms

Name of Substance

  • Gymnemic acid xi

Synonyms

  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-16,22,23-trihydroxy-21,28-bis(((2E)-2-methyl-1-oxo-2-buten-1-yl)oxy)olean-12-en-3-yl
  • Gymnemic acid xi
  • Gymnemic acid xi (constituent of gymnema) [DSC]
  • Gymnemic acid xi, (+)-
  • UNII-U06F13N5GR

Registry Numbers

CAS Registry Number

  • 147899-35-2

FDA UNII

  • U06F13N5GR

System Generated Number

  • 0147899352

Structure Descriptors

InChI

1S/C46H70O14/c1-11-23(3)38(55)57-22-46-26(19-41(5,6)36(35(46)52)60-39(56)24(4)12-2)25-13-14-28-42(7)17-16-30(58-40-33(51)31(49)32(50)34(59-40)37(53)54)43(8,21-47)27(42)15-18-44(28,9)45(25,10)20-29(46)48/h11-13,26-36,40,47-52H,14-22H2,1-10H3,(H,53,54)/b23-11+,24-12+/t26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36-,40+,42-,43-,44+,45+,46-/m0/s1

InChIKey

HXMHDLGRRVPZTP-ZIDNNZLZSA-N

Smiles

C/C=C(\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)OC(=O)/C(=C/C)/C)(C)C)C)O