methyl (4aR,10aS)-1,1-dimethyl-3-oxidanylidene-4,9,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate

Systemtic Name: methyl (4aR,10aS)-1,1-dimethyl-3-oxidanylidene-4,9,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate Openeye Name: methyl (4aR,10aS)-1,1-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate CAS Name: (4aR,10aS)-1,1-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aR,10aS)-1,1-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate Traditional Name: (4aR,10aS)-3-keto-1,1-dimethyl-4,9,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid methyl ester Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC2(C1CCC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CC1(CC(=O)C[C@]2([C@H]1CCC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C18H22O3/c1-17(2)10-13(19)11-18(16(20)21-3)14-7-5-4-6-12(14)8-9-15(17)18/h4-7,15H,8-11H2,1-3H3/t15-,18-/m0/s1