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Cholestan-5-ol, 4-(nitroamino)-, (4.beta.,5.alpha.)-
SpectraBase Compound ID 1579I9KYd18
InChI InChI=1S/C27H48N2O3/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(30)24(28-29(31)32)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24,28,30H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey VUGVCCYJXIYHNX-UEWDELQXSA-N
Mol Weight 448.7 g/mol
Molecular Formula C27H48N2O3
Exact Mass 448.366493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YhNSi4vj0U
Name Cholestan-5-ol, 4-(nitroamino)-, (4.beta.,5.alpha.)-
Alternate Name(s) (4beta,5alpha)-4-(2,2-dioxido-2lambda(1)-diazanyl)cholestan-5-ol 4.beta.-nitroamino-5.alpha.-cholestan-5-ol
CAS Registry Number 82423-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48N2O3
InChI InChI=1S/C27H48N2O3/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(30)24(28-29(31)32)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24,28,30H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey VUGVCCYJXIYHNX-UEWDELQXSA-N
Molecular Weight 448.692 g/mol
SMILES N(N(=O)=O)[C@]1(CCC[C@]2([C@]1(CC[C@]1([C@]3([C@](CC[C@]21[H])([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])O)C)[H]
SPLASH splash10-000i-0009100000-2e3c1dd2f41b0194a7b9
Source of Spectrum KC-1982-927-0
Wiley ID 1387301