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3.beta.-dimethylamino-3.alpha.-ethyl-cholestane
SpectraBase Compound ID Kj74IOQQQS8
InChI InChI=1S/C31H57N/c1-9-31(32(7)8)20-19-29(5)24(21-31)13-14-25-27-16-15-26(23(4)12-10-11-22(2)3)30(27,6)18-17-28(25)29/h22-28H,9-21H2,1-8H3/t23-,24?,25+,26-,27+,28+,29+,30-,31+/m1/s1
InChIKey ZJKDEIWXFXIDNJ-YXJHTJKQSA-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 7a7yGjY71zG
Name 3.beta.-dimethylamino-3.alpha.-ethyl-cholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H57N
InChI InChI=1S/C31H57N/c1-9-31(32(7)8)20-19-29(5)24(21-31)13-14-25-27-16-15-26(23(4)12-10-11-22(2)3)30(27,6)18-17-28(25)29/h22-28H,9-21H2,1-8H3/t23-,24?,25+,26-,27+,28+,29+,30-,31+/m1/s1
InChIKey ZJKDEIWXFXIDNJ-YXJHTJKQSA-N
Molecular Weight 443.804 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@@](N(C)C)(CC)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-03di-2100900000-754959ec2f4bb1090813
Source of Spectrum PL-1982-0-0
Synonyms N-[(3beta)-3-ethylcholestan-3-yl]-N,N-dimethylamine N-[(3beta)-3-ethylcholestan-3-yl]-N-methylmethanamine
Wiley ID 1385809