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Substance Name: Gymnemic acid III
RN: 122074-65-1
UNII: I63P1QEJ6A
InChIKey: VLXWTKUXVXJELF-DDRSIQBQSA-N

Molecular Formula

  • C41-H66-O13

Molecular Weight

  • 766.9594
 
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Names and Synonyms

Name of Substance

  • Gymnemic acid III

Synonyms

  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-16,22,23,28-tetrahydroxy-21-((2S)-2-methyl-1-oxobutoxy)olean-12-en-3-yl
  • Gymnemic acid III
  • UNII-I63P1QEJ6A

Registry Numbers

CAS Registry Number

  • 122074-65-1

FDA UNII

  • I63P1QEJ6A

System Generated Number

  • 0122074651

Structure Descriptors

InChI

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

VLXWTKUXVXJELF-DDRSIQBQSA-N

Smiles

CC[C@H](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)O)C)C)[C@@H]2CC1(C)C)C)O)CO)O