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1.alpha.-dimethylamino-4,4'-dimethyl-5.alpha.-cholestane
SpectraBase Compound ID 56AUeZVmMvd
InChI InChI=1S/C31H57N/c1-21(2)11-10-12-22(3)24-14-15-25-23-13-16-27-29(4,5)19-18-28(32(8)9)31(27,7)26(23)17-20-30(24,25)6/h21-28H,10-20H2,1-9H3/t22-,23+,24-,25+,26+,27+,28+,30-,31-/m1/s1
InChIKey VZGXTLNXBKEZBB-RLVPLRAQSA-N
Mol Weight 443.8 g/mol
Molecular Formula C31H57N
Exact Mass 443.449101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qWCEO4mHP6
Name 1.alpha.-dimethylamino-4,4'-dimethyl-5.alpha.-cholestane
Alternate Name(s) N-[(1alpha,5alpha)-4,4-dimethylcholestan-1-yl]-N,N-dimethylamine N-[(1alpha,5alpha)-4,4-dimethylcholestan-1-yl]-N-methylmethanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H57N
InChI InChI=1S/C31H57N/c1-21(2)11-10-12-22(3)24-14-15-25-23-13-16-27-29(4,5)19-18-28(32(8)9)31(27,7)26(23)17-20-30(24,25)6/h21-28H,10-20H2,1-9H3/t22-,23+,24-,25+,26+,27+,28+,30-,31-/m1/s1
InChIKey VZGXTLNXBKEZBB-RLVPLRAQSA-N
Molecular Weight 443.804 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(C(C)(C)CC[C@@]1(N(C)C)[H])[H])[H])C
SPLASH splash10-001i-9000000000-31cb8c1f70c7612de8d8
Source of Spectrum PL-1982-0-0
Wiley ID 1385808