4a-ethyl-3-methyl-2,3,7-tris(oxidanyl)-2-pyridin-2-yl-1,4,10,10a-tetrahydrophenanthren-9-one

Systemtic Name: 4a-ethyl-3-methyl-2,3,7-tris(oxidanyl)-2-pyridin-2-yl-1,4,10,10a-tetrahydrophenanthren-9-one Openeye Name: 4a-ethyl-2,3,7-trihydroxy-3-methyl-2-(2-pyridyl)-1,4,10,10a-tetrahydrophenanthren-9-one CAS Name: 4a-ethyl-2,3,7-trihydroxy-3-methyl-2-(2-pyridinyl)-1,4,10,10a-tetrahydrophenanthren-9-one IUPAC Name: 4a-ethyl-2,3,7-trihydroxy-3-methyl-2-pyridin-2-yl-1,4,10,10a-tetrahydrophenanthren-9-one Traditional Name: 4a-ethyl-2,3,7-trihydroxy-3-methyl-2-(2-pyridyl)-1,4,10,10a-tetrahydrophenanthren-9-one Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CC(=O)C3=C2C=CC(=C3)O)(C4=CC=CC=N4)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CC(=O)C3=C2C=CC(=C3)O)(C4=CC=CC=N4)O)(C)O

InChI

InChI=1S/C22H25NO4/c1-3-21-13-20(2,26)22(27,19-6-4-5-9-23-19)12-14(21)10-18(25)16-11-15(24)7-8-17(16)21/h4-9,11,14,24,26-27H,3,10,12-13H2,1-2H3