methyl (1S,4aS,10aR)-8-methoxy-1,4a-dimethyl-5-oxidanyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aS,10aR)-8-methoxy-1,4a-dimethyl-5-oxidanyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1S,4aS,10aR)-5-hydroxy-7-isopropyl-8-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate CAS Name: (1S,4aS,10aR)-5-hydroxy-8-methoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,10aR)-5-hydroxy-8-methoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1S,4aS,10aR)-5-hydroxy-7-isopropyl-9-keto-8-methoxy-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C22H30O5 MolecularWeight: 374.4706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1OC)C(=O)CC3C2(CCCC3(C)C(=O)OC)C)O

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1OC)C(=O)C[C@@H]3[C@@]2(CCC[C@]3(C)C(=O)OC)C)O

InChI

InChI=1S/C22H30O5/c1-12(2)13-10-15(24)18-17(19(13)26-5)14(23)11-16-21(18,3)8-7-9-22(16,4)20(25)27-6/h10,12,16,24H,7-9,11H2,1-6H3/t16-,21+,22+/m1/s1