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Substance Name: Gymnemic acid IX
RN: 131653-20-8
UNII: 4QWR1P5B0N
InChIKey: CZFCLAXAWADCPY-RSUBFJOJSA-N

Molecular Formula

  • C47-H72-O18

Molecular Weight

  • 925.0678
 
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Names and Synonyms

Name of Substance

  • Gymnemic acid IX

Synonyms

  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta(E),22alpha)-16,22,23,28-tetrahydroxy-21-((2-methyl-1-oxo-2-butenyl)oxy)olean-12-en-3-yl 3-o-beta-D-arabino-hexopyranos-2-ulos-1-yl-
  • Gymnemic acid IX
  • Gymnemic acid ix, (+)-
  • UNII-4QWR1P5B0N

Registry Numbers

CAS Registry Number

  • 131653-20-8

FDA UNII

  • 4QWR1P5B0N

System Generated Number

  • 0131653208

Structure Descriptors

InChI

1S/C47H72O18/c1-9-21(2)39(60)65-37-36(57)47(20-50)23(16-42(37,3)4)22-10-11-26-43(5)14-13-28(44(6,19-49)25(43)12-15-45(26,7)46(22,8)17-27(47)51)62-41-33(56)34(32(55)35(64-41)38(58)59)63-40-31(54)30(53)29(52)24(18-48)61-40/h9-10,23-30,32-37,40-41,48-53,55-57H,11-20H2,1-8H3,(H,58,59)/b21-9+/t23-,24+,25+,26+,27-,28-,29+,30-,32-,33+,34-,35-,36-,37-,40-,41+,43-,44-,45+,46+,47-/m0/s1

InChIKey

CZFCLAXAWADCPY-RSUBFJOJSA-N

Smiles

C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([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[C@H]7C(=O)[C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)O