2-[[(2S)-4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexyl]-(furan-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[(2S)-4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexyl]-(furan-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-furyl-[(2S)-2-hydroxy-4,4-dimethyl-6-oxo-cyclohexyl]methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-furanyl-[(2S)-2-hydroxy-4,4-dimethyl-6-oxocyclohexyl]methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[furan-2-yl-[(2S)-2-hydroxy-4,4-dimethyl-6-oxocyclohexyl]methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-furyl-[(2S)-2-hydroxy-6-keto-4,4-dimethyl-cyclohexyl]methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=CO3)O)C

Isomeric SMILES

CC1(C[C@@H](C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=CO3)O)C

InChI

InChI=1S/C21H28O5/c1-20(2)8-12(22)17(13(23)9-20)19(16-6-5-7-26-16)18-14(24)10-21(3,4)11-15(18)25/h5-7,12,17-19,22H,8-11H2,1-4H3/t12-,17?,19?/m0/s1