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4.alpha.-methylamino-5.alpha.-cholestane
SpectraBase Compound ID 5VZw5XSa4gW
InChI InChI=1S/C28H51N/c1-19(2)9-7-10-20(3)22-14-15-23-21-12-13-25-26(29-6)11-8-17-27(25,4)24(21)16-18-28(22,23)5/h19-26,29H,7-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26-,27-,28-/m1/s1
InChIKey IFSPWYBWRSGSIA-FNGSWKRYSA-N
Mol Weight 401.7 g/mol
Molecular Formula C28H51N
Exact Mass 401.402151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tv5gK7ql1e
Name 4.alpha.-methylamino-5.alpha.-cholestane
Alternate Name(s) N-[(4alpha,5alpha)-cholestan-4-yl]-N-methylamine N-[(4alpha,5alpha)-cholestan-4-yl]methanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H51N
InChI InChI=1S/C28H51N/c1-19(2)9-7-10-20(3)22-14-15-23-21-12-13-25-26(29-6)11-8-17-27(25,4)24(21)16-18-28(22,23)5/h19-26,29H,7-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26-,27-,28-/m1/s1
InChIKey IFSPWYBWRSGSIA-FNGSWKRYSA-N
Molecular Weight 401.723 g/mol
SMILES N([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])C
SPLASH splash10-00di-9001200000-377120ff694c5f447b48
Source of Spectrum PL-1982-0-0
Wiley ID 1370108