2-(chloromethyl)-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; 13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; pentanedioate

Systemtic Name: 2-(chloromethyl)-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; 13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; pentanedioate Openeye Name: 2-(chloromethyl)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; 3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; pentanedioate CAS Name: 2-(chloromethyl)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; 3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; pentanedioate IUPAC Name: 2-(chloromethyl)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; 3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; pentanedioate Traditional Name: 2-(chloromethyl)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; glutarate; 3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Formula: C42H51ClO8-2 MolecularWeight: 719.30254

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O.CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)CCl)O.C(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O.CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)CCl)O.C(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C19H23ClO2.C18H22O2.C5H8O4/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;6-4(7)2-1-3-5(8)9/h8-9,13-14,16,21H,2-7,10H2,1H3;3,5,10,14-16,19H,2,4,6-9H2,1H3;1-3H2,(H,6,7)(H,8,9)/p-2