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Cholestan-4-amine, N-nitro-, (4.beta.,5.alpha.)-
SpectraBase Compound ID Ij28Kt1RTR7
InChI InChI=1S/C27H48N2O2/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28-29(30)31)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey XFUHPTAUBYDCBJ-RPVPIKDYSA-N
Mol Weight 432.7 g/mol
Molecular Formula C27H48N2O2
Exact Mass 432.371579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dUYS9LyYfp
Name Cholestan-4-amine, N-nitro-, (4.beta.,5.alpha.)-
Alternate Name(s) (4beta,5alpha)-4-(2,2-dioxido-2lambda(1)-diazanyl)cholestane 4.beta.-nitroamino-5.alpha.cholestane
CAS Registry Number 120563-67-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48N2O2
InChI InChI=1S/C27H48N2O2/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28-29(30)31)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey XFUHPTAUBYDCBJ-RPVPIKDYSA-N
Molecular Weight 432.693 g/mol
SMILES N(N(=O)=O)[C@@]1([C@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC1)C)[H])[H]
SPLASH splash10-00dr-0009100000-43d851c0807654b53b4c
Source of Spectrum KC-1988-3260-17
Wiley ID 1382474