(3E,4aS,5S)-1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylidene]-1,4a-dimethyl-5-oxidanyl-4,5,6,7,8,8a-hexahydronaphthalen-2-one

Systemtic Name: (3E,4aS,5S)-1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylidene]-1,4a-dimethyl-5-oxidanyl-4,5,6,7,8,8a-hexahydronaphthalen-2-one Openeye Name: (3E,4aS,5S)-1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylene]-5-hydroxy-1,4a-dimethyl-decalin-2-one CAS Name: (3E,4aS,5S)-1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylidene]-5-hydroxy-1,4a-dimethyl-4,5,6,7,8,8a-hexahydronaphthalen-2-one IUPAC Name: (3E,4aS,5S)-1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylidene]-5-hydroxy-1,4a-dimethyl-4,5,6,7,8,8a-hexahydronaphthalen-2-one Traditional Name: (3E,4aS,5S)-1-(3,5-dimethoxybenzyl)-3-(4-fluorobenzylidene)-5-hydroxy-1,4a-dimethyl-decalin-2-one Formula: C28H33FO4 MolecularWeight: 452.557623

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=CC3=CC=C(C=C3)F)C(=O)C(C1CCCC2O)(C)CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

C[C@]12C/C(=C\C3=CC=C(C=C3)F)/C(=O)C(C1CCC[C@@H]2O)(C)CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C28H33FO4/c1-27-17-20(12-18-8-10-21(29)11-9-18)26(31)28(2,24(27)6-5-7-25(27)30)16-19-13-22(32-3)15-23(14-19)33-4/h8-15,24-25,30H,5-7,16-17H2,1-4H3/b20-12+/t24?,25-,27-,28?/m0/s1