dimethyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-10-oxidanylidene-3,4,9,10a-tetrahydro-2H-phenanthrene-1,7-dicarboxylate

Systemtic Name: dimethyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-10-oxidanylidene-3,4,9,10a-tetrahydro-2H-phenanthrene-1,7-dicarboxylate Openeye Name: dimethyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-10-oxo-3,4,9,10a-tetrahydro-2H-phenanthrene-1,7-dicarboxylate CAS Name: (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-10-oxo-3,4,9,10a-tetrahydro-2H-phenanthrene-1,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-10-oxo-3,4,9,10a-tetrahydro-2H-phenanthrene-1,7-dicarboxylate Traditional Name: (1S,4aS,10aR)-10-keto-6-methoxy-1,4a-dimethyl-3,4,9,10a-tetrahydro-2H-phenanthrene-1,7-dicarboxylic acid dimethyl ester Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C(=O)CC3=C2C=C(C(=C3)C(=O)OC)OC)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@]([C@@H]1C(=O)CC3=C2C=C(C(=C3)C(=O)OC)OC)(C)C(=O)OC

InChI

InChI=1S/C21H26O6/c1-20-7-6-8-21(2,19(24)27-5)17(20)15(22)10-12-9-13(18(23)26-4)16(25-3)11-14(12)20/h9,11,17H,6-8,10H2,1-5H3/t17-,20-,21+/m1/s1