Isocupressic Acid

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Catalog Number ACM1909917
CAS 1909-91-7
Structure {[CurrentData.Name]}
IUPAC Name (1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Molecular Weight 320.5
Molecular Formula C20H32O3
Canonical SMILES CC(=CCO)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C
Inchi InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1
InChIKey DOYKMKZYLAAOGH-DOEMEAPXSA-N
Purity 98%
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