1,1,4a-trimethyl-5,6,7-tris(oxidanyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Systemtic Name: 1,1,4a-trimethyl-5,6,7-tris(oxidanyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Openeye Name: 5,6,7-trihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one CAS Name: 5,6,7-trihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one IUPAC Name: 5,6,7-trihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Traditional Name: 5,6,7-trihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Formula: C17H22O4 MolecularWeight: 290.35418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CC(=O)C3=CC(=C(C(=C32)O)O)O)C)C

Isomeric SMILES

CC1(CCCC2(C1CC(=O)C3=CC(=C(C(=C32)O)O)O)C)C

InChI

InChI=1S/C17H22O4/c1-16(2)5-4-6-17(3)12(16)8-10(18)9-7-11(19)14(20)15(21)13(9)17/h7,12,19-21H,4-6,8H2,1-3H3