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

Systemtic Name: 1,4a-dimethyl-6-phenylmethoxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C24H27O3- MolecularWeight: 363.46938

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)[O-]

Isomeric SMILES

CC12CCCC(C1CCC3=C2C=C(C=C3)OCC4=CC=CC=C4)(C)C(=O)[O-]

InChI

InChI=1S/C24H28O3/c1-23-13-6-14-24(2,22(25)26)21(23)12-10-18-9-11-19(15-20(18)23)27-16-17-7-4-3-5-8-17/h3-5,7-9,11,15,21H,6,10,12-14,16H2,1-2H3,(H,25,26)/p-1