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3.alpha.-amino-3.beta.-methyl-cholestane
SpectraBase Compound ID AvkYGjjgF49
InChI InChI=1S/C28H51N/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-26(4,29)16-17-27(21,5)25(22)14-15-28(23,24)6/h19-25H,7-18,29H2,1-6H3/t20-,21?,22+,23-,24+,25+,26-,27+,28-/m1/s1
InChIKey SBDKHIDAHOBSHO-GCPQESBUSA-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 Hq1TChJZSeG
Name 3.alpha.-amino-3.beta.-methyl-cholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H51N
InChI InChI=1S/C28H51N/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-26(4,29)16-17-27(21,5)25(22)14-15-28(23,24)6/h19-25H,7-18,29H2,1-6H3/t20-,21?,22+,23-,24+,25+,26-,27+,28-/m1/s1
InChIKey SBDKHIDAHOBSHO-GCPQESBUSA-N
Molecular Weight 401.723 g/mol
SMILES N[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)C
SPLASH splash10-00di-9001100000-e420b1aba7f13761b1f2
Source of Spectrum PL-1982-0-0
Synonyms (3alpha)-3-methylcholestan-3-amine
Wiley ID 1370111