methyl (1R,4aS,10aR)-5,6-dimethoxy-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS,10aR)-5,6-dimethoxy-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS,10aR)-7-isopropyl-5,6-dimethoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-5,6-dimethoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS,10aR)-5,6-dimethoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-7-isopropyl-9-keto-5,6-dimethoxy-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C23H32O5 MolecularWeight: 388.49718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32O5/c1-13(2)14-11-15-16(24)12-17-22(3,18(15)20(27-6)19(14)26-5)9-8-10-23(17,4)21(25)28-7/h11,13,17H,8-10,12H2,1-7H3/t17-,22+,23-/m1/s1