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Cholestan-2-amine, N-nitro-, (2.beta.,5.alpha.)-
SpectraBase Compound ID 9Zn6ZkaFP6u
InChI InChI=1S/C27H48N2O2/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28-29(30)31)17-27(20,5)25(22)15-16-26(23,24)4/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey CXLIIVQLKZMPMU-VBWRGJNHSA-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 3QmaDf5aJmV
Name Cholestan-2-amine, N-nitro-, (2.beta.,5.alpha.)-
Alternate Name(s) (2beta,5alpha)-2-(2,2-dioxido-2lambda(1)-diazanyl)cholestane 2.beta.-nitroamino-5.alpha.-cholestane
CAS Registry Number 98006-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48N2O2
InChI InChI=1S/C27H48N2O2/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28-29(30)31)17-27(20,5)25(22)15-16-26(23,24)4/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey CXLIIVQLKZMPMU-VBWRGJNHSA-N
Molecular Weight 432.693 g/mol
SMILES N(N(=O)=O)[C@]1(C[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-00di-0009000000-8addf9bd8c805751e1c7
Source of Spectrum KC-1988-3260-13
Wiley ID 1382475