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4.alpha.-dimethylaminocholestane
SpectraBase Compound ID 7oQfx3QuGs1
InChI InChI=1S/C29H53N/c1-20(2)10-8-11-21(3)23-15-16-24-22-13-14-26-27(30(6)7)12-9-18-28(26,4)25(22)17-19-29(23,24)5/h20-27H,8-19H2,1-7H3/t21-,22+,23-,24+,25+,26?,27-,28-,29-/m1/s1
InChIKey XKMMRDYMRVSQFW-YZWIYYLBSA-N
Mol Weight 415.8 g/mol
Molecular Formula C29H53N
Exact Mass 415.417801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6N9egXTPVUK
Name 4.alpha.-dimethylaminocholestane
Alternate Name(s) 4-(N,N-dimethylamino)-cholestane N-[(4alpha)-cholestan-4-yl]-N,N-dimethylamine N-[(4alpha)-cholestan-4-yl]-N-methylmethanamine
CAS Registry Number 57072-26-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H53N
InChI InChI=1S/C29H53N/c1-20(2)10-8-11-21(3)23-15-16-24-22-13-14-26-27(30(6)7)12-9-18-28(26,4)25(22)17-19-29(23,24)5/h20-27H,8-19H2,1-7H3/t21-,22+,23-,24+,25+,26?,27-,28-,29-/m1/s1
InChIKey XKMMRDYMRVSQFW-YZWIYYLBSA-N
Molecular Weight 415.750 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC[C@]4(N(C)C)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-00lr-9000300000-d68f218f4b52b7ac4526
Source of Spectrum O-10-443-1
Wiley ID 1376123