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Substance Name: Valerenic acid
RN: 3569-10-6
UNII: 34NDB285PM
InChIKey: FEBNTWHYQKGEIQ-SUKRRCERSA-N

Note

  • A saturated oplopanone type indene from Valeriana officinalis.

Molecular Formula

  • C15-H22-O2

Molecular Weight

  • 234.337
 
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Names and Synonyms

Name of Substance

  • Valerenic acid

Synonym

  • UNII-34NDB285PM

Systematic Name

  • 2-Propenoic acid, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4alpha(E),7beta,7aalpha))-

Registry Numbers

CAS Registry Number

  • 3569-10-6

FDA UNII

  • 34NDB285PM

System Generated Number

  • 0003569106

Structure Descriptors

InChI

InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1

InChIKey

FEBNTWHYQKGEIQ-SUKRRCERSA-N

Smiles

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