dimethyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,7-dicarboxylate

Systemtic Name: dimethyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,7-dicarboxylate Openeye Name: dimethyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,7-dicarboxylate CAS Name: (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,7-dicarboxylate Traditional Name: (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,7-dicarboxylic acid dimethyl ester Formula: C21H26O5 MolecularWeight: 358.42814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C=CC3=CC(=C(C=C23)OC)C(=O)OC)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@]([C@@H]1C=CC3=CC(=C(C=C23)OC)C(=O)OC)(C)C(=O)OC

InChI

InChI=1S/C21H26O5/c1-20-9-6-10-21(2,19(23)26-5)17(20)8-7-13-11-14(18(22)25-4)16(24-3)12-15(13)20/h7-8,11-12,17H,6,9-10H2,1-5H3/t17-,20-,21+/m1/s1