CAS 84638-55-1 Acetoxyvalerenic Acid - Analytical Products / Alfa Chemistry

CAT	APS84638551
CAS	84638-55-1
Structure
MDL Number	MFCD03093738
Synonyms	Acetoxyvalerenic acid,[1R-[1alpha,4alpha(E),7beta,7aalpha]]-3-[1-(Acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenoic acid, Acetylvalerenolic acid
IUPAC Name	(E)-3-[(1R,4S,7R,7aR)-1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
Molecular Weight	292.37
Molecular Formula	C17H24O4
Canonical SMILES	C[C@@H]1CC[C@@H](\C=C(/C)\C(=O)O)C2=C(C)C[C@@H](OC(=O)C)[C@H]12
InChI	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
InChI Key	VBBXZFLAYWAXSK-HYJCDKNOSA-N