(2R,3R,4R,5S)-3-(4-tert-butylphenyl)-2,4-diethanoyl-5-methyl-5-oxidanyl-cyclohexan-1-one

Systemtic Name: (2R,3R,4R,5S)-3-(4-tert-butylphenyl)-2,4-diethanoyl-5-methyl-5-oxidanyl-cyclohexan-1-one Openeye Name: (2R,3R,4R,5S)-2,4-diacetyl-3-(4-tert-butylphenyl)-5-hydroxy-5-methyl-cyclohexanone CAS Name: (2R,3R,4R,5S)-2,4-diacetyl-3-(4-tert-butylphenyl)-5-hydroxy-5-methyl-1-cyclohexanone IUPAC Name: (2R,3R,4R,5S)-2,4-diacetyl-3-(4-tert-butylphenyl)-5-hydroxy-5-methylcyclohexan-1-one Traditional Name: (2R,3R,4R,5S)-2,4-diacetyl-3-(4-tert-butylphenyl)-5-hydroxy-5-methyl-cyclohexanone Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)[C@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28O4/c1-12(22)17-16(24)11-21(6,25)19(13(2)23)18(17)14-7-9-15(10-8-14)20(3,4)5/h7-10,17-19,25H,11H2,1-6H3/t17-,18+,19-,21+/m1/s1