(1S,5R)-6,6-dimethyl-2-[2-(4-methylphenyl)-2-oxidanyl-ethyl]-3-[(4-methylphenyl)-oxidanyl-methyl]bicyclo[3.1.1]hept-2-en-4-one

Systemtic Name: (1S,5R)-6,6-dimethyl-2-[2-(4-methylphenyl)-2-oxidanyl-ethyl]-3-[(4-methylphenyl)-oxidanyl-methyl]bicyclo[3.1.1]hept-2-en-4-one Openeye Name: (1S,5R)-2-[2-hydroxy-2-(p-tolyl)ethyl]-3-[hydroxy(p-tolyl)methyl]-6,6-dimethyl-bicyclo[3.1.1]hept-2-en-4-one CAS Name: (1S,5R)-2-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[hydroxy-(4-methylphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]hept-2-enone IUPAC Name: (1S,5R)-2-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[hydroxy-(4-methylphenyl)methyl]-6,6-dimethylbicyclo[3.1.1]hept-2-en-4-one Traditional Name: (1S,5R)-2-[2-hydroxy-2-(p-tolyl)ethyl]-3-[hydroxy(p-tolyl)methyl]-6,6-dimethyl-bicyclo[3.1.1]hept-2-en-4-one Formula: C26H30O3 MolecularWeight: 390.5146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=C(C(=O)C3CC2C3(C)C)C(C4=CC=C(C=C4)C)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC2=C(C(=O)[C@@H]3C[C@H]2C3(C)C)C(C4=CC=C(C=C4)C)O)O

InChI

InChI=1S/C26H30O3/c1-15-5-9-17(10-6-15)22(27)13-19-20-14-21(26(20,3)4)25(29)23(19)24(28)18-11-7-16(2)8-12-18/h5-12,20-22,24,27-28H,13-14H2,1-4H3/t20-,21+,22?,24?/m1/s1