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

Systemtic Name: 4a-ethyl-3-methyl-2,3,7-tris(oxidanyl)-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one Openeye Name: 4a-ethyl-2,3,7-trihydroxy-3-methyl-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one CAS Name: 4a-ethyl-2,3,7-trihydroxy-3-methyl-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one IUPAC Name: 4a-ethyl-2,3,7-trihydroxy-3-methyl-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one Traditional Name: 4a-ethyl-2,3,7-trihydroxy-3-methyl-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,24,26-27H,3,11,13-14H2,1-2H3