methyl (2S)-7-methoxy-1-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylate

Systemtic Name: methyl (2S)-7-methoxy-1-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylate Openeye Name: methyl (2S)-7-methoxy-1-(2-methoxy-2-oxo-ethyl)-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylate CAS Name: (2S)-7-methoxy-1-(2-methoxy-2-oxoethyl)-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-7-methoxy-1-(2-methoxy-2-oxoethyl)-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylate Traditional Name: (2S)-1-(2-keto-2-methoxy-ethyl)-7-methoxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid methyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1CC(=O)OC)CCC3=C2C=CC(=C3)OC)C(=O)OC

Isomeric SMILES

C[C@@]1(CCC2C(C1CC(=O)OC)CCC3=C2C=CC(=C3)OC)C(=O)OC

InChI

InChI=1S/C21H28O5/c1-21(20(23)26-4)10-9-16-15-8-6-14(24-2)11-13(15)5-7-17(16)18(21)12-19(22)25-3/h6,8,11,16-18H,5,7,9-10,12H2,1-4H3/t16?,17?,18?,21-/m0/s1