5-methoxy-2,4a-dimethyl-1-methylidene-6,8-bis(oxidanyl)-7-(2-oxidanylpropan-2-yl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Systemtic Name: 5-methoxy-2,4a-dimethyl-1-methylidene-6,8-bis(oxidanyl)-7-(2-oxidanylpropan-2-yl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Openeye Name: 6,8-dihydroxy-7-(1-hydroxy-1-methyl-ethyl)-5-methoxy-2,4a-dimethyl-1-methylene-3,4,10,10a-tetrahydro-2H-phenanthren-9-one CAS Name: 6,8-dihydroxy-7-(2-hydroxypropan-2-yl)-5-methoxy-2,4a-dimethyl-1-methylene-3,4,10,10a-tetrahydro-2H-phenanthren-9-one IUPAC Name: 6,8-dihydroxy-7-(2-hydroxypropan-2-yl)-5-methoxy-2,4a-dimethyl-1-methylidene-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Traditional Name: 6,8-dihydroxy-7-(1-hydroxy-1-methyl-ethyl)-5-methoxy-2,4a-dimethyl-1-methylene-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Formula: C21H28O5 MolecularWeight: 360.44402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(C)(C)O)O)OC)C

Isomeric SMILES

CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(C)(C)O)O)OC)C

InChI

InChI=1S/C21H28O5/c1-10-7-8-21(5)12(11(10)2)9-13(22)14-15(21)19(26-6)18(24)16(17(14)23)20(3,4)25/h10,12,23-25H,2,7-9H2,1,3-6H3