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Substance Name: Acetoxyvalerenic acid
RN: 84638-55-1
UNII: 8A47JLA8P4
InChIKey: VBBXZFLAYWAXSK-RONQOHQESA-N

Molecular Formula

  • C17-H24-O4

Molecular Weight

  • 292.3726
 
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Names and Synonyms

Name of Substance

  • Acetoxyvalerenic acid

Synonyms

  • 2-Propenoic acid, 3-(1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (1R-(1alpha,4alpha(E),7alpha,7aalpha))-
  • Acetoxyvalerenic acid
  • Acetoxyvalerenic acid (constituent of valerian) [DSC]
  • Acetoxyvalerenic acid (stn)
  • Acetylvalerenolic acid
  • UNII-8A47JLA8P4
  • Valerenolic acid, acetyl-

Registry Numbers

CAS Registry Number

  • 84638-55-1

FDA UNII

  • 8A47JLA8P4

System Generated Number

  • 0084638551

Structure Descriptors

InChI

1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14+,16+/m1/s1

InChIKey

VBBXZFLAYWAXSK-RONQOHQESA-N

Smiles

C[C@@H]1CC[C@H](C2=C(C[C@@H]([C@H]12)OC(=O)C)C)/C=C(\C)/C(=O)O