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Cholestane-2,3-dione, dioxime, (5.alpha.)-
SpectraBase Compound ID BXdyFsGVTxY
InChI InChI=1S/C27H46N2O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28-30)25(29-31)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,30-31H,6-16H2,1-5H3/b28-24-,29-25-/t18-,19+,20+,21-,22+,23+,26-,27+/m1/s1
InChIKey HVEXIRSOIACQFA-OKEIMNDESA-N
Mol Weight 430.7 g/mol
Molecular Formula C27H46N2O2
Exact Mass 430.355929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51y8eGAjHck
Name Cholestane-2,3-dione, dioxime, (5.alpha.)-
Alternate Name(s) (5alpha)-cholestane-2,3-dione dioxime 5.alpha.-cholestane-2,3-dione, dioxime Cholestan-2,3-dione-2,3-dioxime Cholestan-2,3-dione-dioxime
CAS Registry Number 5300-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46N2O2
InChI InChI=1S/C27H46N2O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28-30)25(29-31)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,30-31H,6-16H2,1-5H3/b28-24-,29-25-/t18-,19+,20+,21-,22+,23+,26-,27+/m1/s1
InChIKey HVEXIRSOIACQFA-OKEIMNDESA-N
Molecular Weight 430.677 g/mol
SMILES O\N=C/1C[C@@]2(CC[C@@]3([C@@]([C@]2(C\C1=N\O)C)(CC[C@@]1([C@](CC[C@@]31[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H]
SPLASH splash10-0bu0-7321900000-0e31731605a83741ab53
Source of Spectrum K-113-658-0
Wiley ID 1381725