methyl 1,4a-dimethyl-6-phenylmethoxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl 1,4a-dimethyl-6-phenylmethoxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl 6-benzyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: 1,4a-dimethyl-6-phenylmethoxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl 1,4a-dimethyl-6-phenylmethoxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: 6-benzoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C25H30O3 MolecularWeight: 378.5039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CCC3=C2C=C(C=C3)OCC4=CC=CC=C4)(C)C(=O)OC

Isomeric SMILES

CC12CCCC(C1CCC3=C2C=C(C=C3)OCC4=CC=CC=C4)(C)C(=O)OC

InChI

InChI=1S/C25H30O3/c1-24-14-7-15-25(2,23(26)27-3)22(24)13-11-19-10-12-20(16-21(19)24)28-17-18-8-5-4-6-9-18/h4-6,8-10,12,16,22H,7,11,13-15,17H2,1-3H3