(11R,13S,17S)-4-bromanyl-11-[4-[(E)-hydroxyiminomethyl]phenyl]-13-methyl-17-oxidanyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (11R,13S,17S)-4-bromanyl-11-[4-[(E)-hydroxyiminomethyl]phenyl]-13-methyl-17-oxidanyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: (1E)-4-[(11R,13S,17S)-4-bromo-17-hydroxy-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]benzaldehyde oxime CAS Name: (1E)-4-[(11R,13S,17S)-4-bromo-17-hydroxy-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]benzaldehyde oxime IUPAC Name: (11R,13S,17S)-4-bromo-17-hydroxy-11-[4-[(E)-hydroxyiminomethyl]phenyl]-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: (1E)-4-[(11R,13S,17S)-4-bromo-17-hydroxy-3-keto-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]benzaldoxime Formula: C25H28BrNO3 MolecularWeight: 470.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C(=C4CCC3C1CCC2O)Br)C5=CC=C(C=C5)C=NO

Isomeric SMILES

C[C@]12C[C@@H](C3=C4CCC(=O)C(=C4CCC3C1CC[C@@H]2O)Br)C5=CC=C(C=C5)/C=N/O

InChI

InChI=1S/C25H28BrNO3/c1-25-12-19(15-4-2-14(3-5-15)13-27-30)23-16-8-10-21(28)24(26)17(16)6-7-18(23)20(25)9-11-22(25)29/h2-5,13,18-20,22,29-30H,6-12H2,1H3/b27-13+/t18?,19-,20?,22+,25+/m1/s1