methyl (1S,4aS,10R,10aR)-10-bromanyl-6-methoxy-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aS,10R,10aR)-10-bromanyl-6-methoxy-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1S,4aS,10R,10aR)-10-bromo-6-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate CAS Name: (1S,4aS,10R,10aR)-10-bromo-6-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,10R,10aR)-10-bromo-6-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1S,4aS,10R,10aR)-10-bromo-9-keto-6-methoxy-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C19H23BrO4 MolecularWeight: 395.28752

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C(C(=O)C3=C2C=C(C=C3)OC)Br)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@]([C@@H]1[C@H](C(=O)C3=C2C=C(C=C3)OC)Br)(C)C(=O)OC

InChI

InChI=1S/C19H23BrO4/c1-18-8-5-9-19(2,17(22)24-4)16(18)14(20)15(21)12-7-6-11(23-3)10-13(12)18/h6-7,10,14,16H,5,8-9H2,1-4H3/t14-,16+,18+,19-/m0/s1