CAS 3569-10-6 (-)-Valerenic Acid - Analytical Products / Alfa Chemistry

CAT	APS3569106
CAS	3569-10-6
Structure
Synonyms	3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, [4S-[4alpha(E),7beta,7aalpha]]-2-propenoic acid, Valerenic acid, 2,4,5,6,7,7a-hexahydro-alpha,3,7-trimethyl-indene-4-acrylic acid,(2E)-3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenoic acid, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, [4S-[4α(E),7β,7aalpha]]-2-propenoic acid, 2,4,5,6,7,7a-hexahydro-α,3,7-trimethyl-indene-4-acrylic acid, (-)-Valerenic acid
IUPAC Name	(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
Molecular Weight	234.33
Molecular Formula	C15H22O2
Canonical SMILES	C[C@@H]1CC[C@@H](\C=C(/C)\C(=O)O)C2=C(C)CC[C@H]12
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

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