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Substance Name: Valerenolic acid
RN: 81397-68-4
InChIKey: XJNQXTISSHEQKD-UXBLZVDNSA-N

Note

  • Oplopanone type saturated indene.

Molecular Formula

  • C15-H22-O3

Molecular Weight

  • 250.3358
 
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Names and Synonyms

Name of Substance

  • Valerenolic acid

Synonym

  • 3-(2,4,5,6,7,7a-Hexahydro-1-hydroxy-3,7-dimethyl-1H-inden-4-yl)-2-methyl-2-propenoic acid

Systematic Name

  • 2-Propenoic acid, 3-(2,4,5,6,7,7a-hexahydro-1-hydroxy-3,7-dimethyl-1H-inden-4-yl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 81397-68-4

System Generated Number

  • 0081397684

Structure Descriptors

InChI

1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+

InChIKey

XJNQXTISSHEQKD-UXBLZVDNSA-N

Smiles

CC1CCC(C2=C(CC(C12)O)C)/C=C(\C)/C(=O)O