Monomethyl Kolavate

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Catalog Number ACM24513415
CAS 24513-41-5
Structure {[CurrentData.Name]}
IUPAC Name (4aR,5S,6R,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Molecular Weight 348.5
Molecular Formula C21H32O4
Canonical SMILES CC1CCC2(C(C1(C)CCC(=CC(=O)OC)C)CCC=C2C(=O)O)C
Inchi InChI=1S/C21H32O4/c1-14(13-18(22)25-5)9-11-20(3)15(2)10-12-21(4)16(19(23)24)7-6-8-17(20)21/h7,13,15,17H,6,8-12H2,1-5H3,(H,23,24)/b14-13+/t15-,17-,20+,21+/m1/s1
InChIKey CCDSRPQULZAXRF-LIECZFJOSA-N
Purity 98%
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