trimethyl (1S,4aS)-1,4a-dimethyl-9-oxidanylidene-8-propyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1,6,7-tricarboxylate

Systemtic Name: trimethyl (1S,4aS)-1,4a-dimethyl-9-oxidanylidene-8-propyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1,6,7-tricarboxylate Openeye Name: trimethyl (1S,4aS)-1,4a-dimethyl-9-oxo-8-propyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1,6,7-tricarboxylate CAS Name: (1S,4aS)-1,4a-dimethyl-9-oxo-8-propyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1,6,7-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1S,4aS)-1,4a-dimethyl-9-oxo-8-propyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1,6,7-tricarboxylate Traditional Name: (1S,4aS)-9-keto-1,4a-dimethyl-8-propyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1,6,7-tricarboxylic acid trimethyl ester Formula: C25H32O7 MolecularWeight: 444.51738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC2=C1C(=O)CC3C2(CCCC3(C)C(=O)OC)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=CC2=C1C(=O)CC3[C@@]2(CCC[C@]3(C)C(=O)OC)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H32O7/c1-7-9-14-19(22(28)31-5)15(21(27)30-4)12-16-20(14)17(26)13-18-24(16,2)10-8-11-25(18,3)23(29)32-6/h12,18H,7-11,13H2,1-6H3/t18?,24-,25+/m1/s1