methyl (1R,4aS)-1,4a-dimethyl-9-oxidanylidene-7-(2-oxidanylpropan-2-yl)-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS)-1,4a-dimethyl-9-oxidanylidene-7-(2-oxidanylpropan-2-yl)-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,4aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,4aS)-7-(1-hydroxy-1-methyl-ethyl)-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CC(=O)C3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@@](C1CC(=O)C3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC

InChI

InChI=1S/C21H28O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,17,24H,6,9-10,12H2,1-5H3/t17?,20-,21-/m1/s1