methyl (1R,4aS)-10-acetyloxy-1,4a-dimethyl-9-oxidanylidene-3,4-dihydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS)-10-acetyloxy-1,4a-dimethyl-9-oxidanylidene-3,4-dihydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS)-10-acetoxy-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,4aS)-10-acetyloxy-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS)-10-acetyloxy-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,4aS)-10-acetoxy-9-keto-1,4a-dimethyl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C(CCCC2(C)C(=O)OC)(C3=CC=CC=C3C1=O)C

Isomeric SMILES

CC(=O)OC1=C2[C@@](CCC[C@@]2(C)C(=O)OC)(C3=CC=CC=C3C1=O)C

InChI

InChI=1S/C20H22O5/c1-12(21)25-16-15(22)13-8-5-6-9-14(13)19(2)10-7-11-20(3,17(16)19)18(23)24-4/h5-6,8-9H,7,10-11H2,1-4H3/t19-,20+/m0/s1