Chem
J-GLOBAL ID：200907049805656076   Nikkaji number：J14.796F

Valerenic acid

バレレン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C15H22O2
Molecular formula furigana： C15-H22-O2
Molecular weight： 234.339
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
InChI key： FEBNTWHYQKGEIQ-SUKRRCERSA-N
SMILES： C[C@@H]1CC[C@@H](/C=C(\C)/C(=O)O)C2=C(C)CC[C@H]12
Systematic name  (3)：
  • (E)-3-[(4S)-2,4,5,6,7,7aα-ヘキサヒドロ-3,7β-ジメチル-1H-インデン-4-イル]-2-メチルプロペン酸
  • (2E)-3-[(4S,7R,7aR)-3,7-ジメチル-2,4,5,6,7,7a-ヘキサヒドロ-1H-インデン-4-イル]-2-メチルプロパ-2-エン酸
  • (2E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
Other name (3)：
  • バレレン酸
  • Valerenic acid
  • (E)-3-[(4S)-2,4,5,6,7,7aα-Hexahydro-3,7β-dimethyl-1H-inden-4-yl]-2-methylpropenoic acid
CAS registry number： 3569-10-6
KEGG COMPOUND： C09743
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