471-53-4 Purity
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Specification
The PubChem CID of (3aR)-(+)-Sclareolide is 929262.
The molecular formula of (3aR)-(+)-Sclareolide is C16H26O2.
The molecular weight of (3aR)-(+)-Sclareolide is 250.38 g/mol.
The IUPAC name of (3aR)-(+)-Sclareolide is (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one.
The InChI of (3aR)-(+)-Sclareolide is InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m0/s1.
The InChIKey of (3aR)-(+)-Sclareolide is IMKJGXCIJJXALX-SHUKQUCYSA-N.
The canonical SMILES of (3aR)-(+)-Sclareolide is CC1(CCCC2(C1CCC3(C2CC(=O)O3)C)C)C.
The CAS number of (3aR)-(+)-Sclareolide is 564-20-5.
The European Community (EC) number of (3aR)-(+)-Sclareolide is 209-269-0.
The FEMA number of (3aR)-(+)-Sclareolide is 3794.