methyl (7S,10aS)-2-methoxy-7,10a-dimethyl-4-phenyl-6a,8,9,10-tetrahydroacephenanthrylene-7-carboxylate

Systemtic Name: methyl (7S,10aS)-2-methoxy-7,10a-dimethyl-4-phenyl-6a,8,9,10-tetrahydroacephenanthrylene-7-carboxylate Openeye Name: methyl (7S,10aS)-2-methoxy-7,10a-dimethyl-4-phenyl-6a,8,9,10-tetrahydroacephenanthrylene-7-carboxylate CAS Name: (7S,10aS)-2-methoxy-7,10a-dimethyl-4-phenyl-6a,8,9,10-tetrahydroacephenanthrylene-7-carboxylic acid methyl ester IUPAC Name: methyl (7S,10aS)-2-methoxy-7,10a-dimethyl-4-phenyl-6a,8,9,10-tetrahydroacephenanthrylene-7-carboxylate Traditional Name: (7S,10aS)-2-methoxy-7,10a-dimethyl-4-phenyl-6a,8,9,10-tetrahydroacephenanthrylene-7-carboxylic acid methyl ester Formula: C27H28O3 MolecularWeight: 400.50942

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C=C3C=C(C4=CC(=CC2=C34)OC)C5=CC=CC=C5)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@](C1C=C3C=C(C4=CC(=CC2=C34)OC)C5=CC=CC=C5)(C)C(=O)OC

InChI

InChI=1S/C27H28O3/c1-26-11-8-12-27(2,25(28)30-4)23(26)14-18-13-20(17-9-6-5-7-10-17)21-15-19(29-3)16-22(26)24(18)21/h5-7,9-10,13-16,23H,8,11-12H2,1-4H3/t23?,26-,27+/m1/s1