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Cholest-5-en-7-one, oxime, (7E)-
SpectraBase Compound ID 6t1PkZX82Gv
InChI InChI=1S/C27H45NO/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28-29/h17-19,21-23,25,29H,6-16H2,1-5H3/b28-24+/t19-,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey XRMAWNDMMMGAKS-CFMSCDOGSA-N
Mol Weight 399.7 g/mol
Molecular Formula C27H45NO
Exact Mass 399.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tVKohRsDqJ
Name Cholest-5-en-7-one, oxime, (7E)-
CAS Registry Number 116562-62-0
Comments Less than 3 mono-isotopic peaks
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Formula C27H45NO
InChI InChI=1S/C27H45NO/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28-29/h17-19,21-23,25,29H,6-16H2,1-5H3/b28-24+/t19-,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey XRMAWNDMMMGAKS-CFMSCDOGSA-N
Molecular Weight 399.663 g/mol
SMILES O\N=C\1[C@]2([C@]3([C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CC[C@@]2([C@@]2(C(CCCC2)=C1)C)[H])C)[H])[H]
SPLASH splash10-001i-0009000000-c15431b9038a88e1cb9d
Source of Spectrum KC-1988-325-12
Synonyms (E)-Cholest-5-en-7-one oxime cholest-5-en-7-one oxime
Wiley ID 1369134