methyl (4aR,10aS)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylate

Systemtic Name: methyl (4aR,10aS)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylate Openeye Name: methyl (4aR,10aS)-7-isopropyl-5,6-dimethoxy-1,1-dimethyl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylate CAS Name: (4aR,10aS)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aR,10aS)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylate Traditional Name: (4aR,10aS)-7-isopropyl-5,6-dimethoxy-1,1-dimethyl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid methyl ester Formula: C23H32O4 MolecularWeight: 372.49778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=C(C(=C2C(=C1)C=C[C@@H]3[C@@]2(CCCC3(C)C)C(=O)OC)OC)OC

InChI

InChI=1S/C23H32O4/c1-14(2)16-13-15-9-10-17-22(3,4)11-8-12-23(17,21(24)27-7)18(15)20(26-6)19(16)25-5/h9-10,13-14,17H,8,11-12H2,1-7H3/t17-,23+/m0/s1