(1S,4aS,10aR)-1-(4-methylphenyl)-1-oxidanyl-2,4,4a,9,10,10a-hexahydrophenanthren-3-one

Systemtic Name: (1S,4aS,10aR)-1-(4-methylphenyl)-1-oxidanyl-2,4,4a,9,10,10a-hexahydrophenanthren-3-one Openeye Name: (1S,4aS,10aR)-1-hydroxy-1-(p-tolyl)-2,4,4a,9,10,10a-hexahydrophenanthren-3-one CAS Name: (1S,4aS,10aR)-1-hydroxy-1-(4-methylphenyl)-2,4,4a,9,10,10a-hexahydrophenanthren-3-one IUPAC Name: (1S,4aS,10aR)-1-hydroxy-1-(4-methylphenyl)-2,4,4a,9,10,10a-hexahydrophenanthren-3-one Traditional Name: (1S,4aS,10aR)-1-hydroxy-1-(p-tolyl)-2,4,4a,9,10,10a-hexahydrophenanthren-3-one Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC(=O)CC3C2CCC4=CC=CC=C34)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@]2(CC(=O)C[C@H]3[C@H]2CCC4=CC=CC=C34)O

InChI

InChI=1S/C21H22O2/c1-14-6-9-16(10-7-14)21(23)13-17(22)12-19-18-5-3-2-4-15(18)8-11-20(19)21/h2-7,9-10,19-20,23H,8,11-13H2,1H3/t19-,20-,21-/m1/s1