(2E)-8-methoxy-12a-methyl-2-(phenylmethylidene)-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one

Systemtic Name: (2E)-8-methoxy-12a-methyl-2-(phenylmethylidene)-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one Openeye Name: (2E)-2-benzylidene-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one CAS Name: (2E)-8-methoxy-12a-methyl-2-(phenylmethylene)-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one IUPAC Name: (2E)-2-benzylidene-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one Traditional Name: (2E)-2-benzal-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one Formula: C27H30O2 MolecularWeight: 386.5259

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC(=CC4=CC=CC=C4)C2=O)CCC5=C3C=CC(=C5)OC

Isomeric SMILES

CC12CCC3C(C1CC/C(=C\C4=CC=CC=C4)/C2=O)CCC5=C3C=CC(=C5)OC

InChI

InChI=1S/C27H30O2/c1-27-15-14-23-22-12-10-21(29-2)17-19(22)8-11-24(23)25(27)13-9-20(26(27)28)16-18-6-4-3-5-7-18/h3-7,10,12,16-17,23-25H,8-9,11,13-15H2,1-2H3/b20-16+