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Substance Name: Gymnemic acid XII
RN: 147899-36-3
UNII: 81E1A0G19O
InChIKey: XHFAFTWZPMKJCK-MTYXAMRGSA-N

Molecular Formula

  • C49-H76-O19

Molecular Weight

  • 969.1204
 
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Names and Synonyms

Name of Substance

  • Gymnemic acid XII

Synonyms

  • Gymnemic acid XII
  • Gymnemic acid XII (constituent of gymnema) [DSC]
  • Gymnemic acid xii, (+)-
  • UNII-81E1A0G19O

Registry Numbers

CAS Registry Number

  • 147899-36-3

FDA UNII

  • 81E1A0G19O

System Generated Number

  • 0147899363

Structure Descriptors

InChI

1S/C49H76O19/c1-10-22(2)41(62)68-39-38(59)49(21-63-23(3)52)25(17-44(39,4)5)24-11-12-28-45(6)15-14-30(46(7,20-51)27(45)13-16-47(28,8)48(24,9)18-29(49)53)65-43-35(58)36(34(57)37(67-43)40(60)61)66-42-33(56)32(55)31(54)26(19-50)64-42/h10-11,25-39,42-43,50-51,53-59H,12-21H2,1-9H3,(H,60,61)/b22-10+/t25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36-,37-,38-,39-,42-,43+,45-,46-,47+,48+,49-/m0/s1

InChIKey

XHFAFTWZPMKJCK-MTYXAMRGSA-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]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)COC(=O)C)O