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Substance Name: Gymnemic acid I
RN: 122168-40-5
UNII: N67JJ0K34T
InChIKey: VEFSVJGWJQPWFS-ZXKKMYOJSA-N

Molecular Formula

  • C43-H66-O14

Molecular Weight

  • 806.9804
 
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Names and Synonyms

Name of Substance

  • Gymnemic acid I

Synonyms

  • (+)-Gymnemic acid I
  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-28-(acetyloxy)-16,22,23-trihydroxy-21-(((2E)-2-methyl-1-oxo-2-buten-1-yl)oxy)olean-12-en-3-yl
  • Gymnemic acid I
  • Gymnemic acid I, (+)-
  • UNII-N67JJ0K34T

Registry Numbers

CAS Registry Number

  • 122168-40-5

FDA UNII

  • N67JJ0K34T

System Generated Number

  • 0122168405

Structure Descriptors

InChI

InChI=1S/C43H66O14/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/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1

InChIKey

VEFSVJGWJQPWFS-ZXKKMYOJSA-N

Smiles

C\C=C(/C)\C(=O)O[C@H]1[C@H](O)[C@]2(COC(=O)C)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C