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6-(E)-HYDROXIMINO-CHOLEST-4-EN-3-ONE
SpectraBase Compound ID 2W5oGpsP4AL
InChI InChI=1S/C27H43NO2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(28-30)24-15-19(29)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,30H,6-14,16H2,1-5H3/b28-25+/t18-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey OHVJEOXDVIFIPO-KLVPPCHUSA-N
Mol Weight 413.6 g/mol
Molecular Formula C27H43NO2
Exact Mass 413.32938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XDOtnCxVul
Name (6E,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-hydroximino-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
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Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(28-30)24-15-19(29)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,30H,6-14,16H2,1-5H3/b28-25+/t18-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey OHVJEOXDVIFIPO-KLVPPCHUSA-N
Molecular Weight 413.646 g/mol
SMILES O\N=C\1C=2[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(C1)[H])[H])(CCC(=O)C2)C
SPLASH splash10-00dj-0009100000-ec42e1893aafb1310b87
Source of Spectrum F2-44-2616-1
Synonyms (6E,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-hydroxyimino-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one (6E,8S,9S,10R,13R,14S,17R)-6-hydroxyimino-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Wiley ID 1639301