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6.beta.-dimethylaminocholestane
SpectraBase Compound ID BYN8Fj2ow4K
InChI InChI=1S/C29H53N/c1-20(2)11-10-12-21(3)23-14-15-24-22-19-27(30(6)7)26-13-8-9-17-28(26,4)25(22)16-18-29(23,24)5/h20-27H,8-19H2,1-7H3/t21-,22+,23-,24+,25+,26?,27-,28-,29-/m1/s1
InChIKey JDTJSIOZWFSEOU-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 2pGkRNV5Hs
Name 6.beta.-dimethylaminocholestane
Alternate Name(s) N-[(6beta)-cholestan-6-yl]-N,N-dimethylamine N-[(6beta)-cholestan-6-yl]-N-methylmethanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H53N
InChI InChI=1S/C29H53N/c1-20(2)11-10-12-21(3)23-14-15-24-22-19-27(30(6)7)26-13-8-9-17-28(26,4)25(22)16-18-29(23,24)5/h20-27H,8-19H2,1-7H3/t21-,22+,23-,24+,25+,26?,27-,28-,29-/m1/s1
InChIKey JDTJSIOZWFSEOU-YZWIYYLBSA-N
Molecular Weight 415.750 g/mol
SMILES [C@@]12([C@]([C@@]3(C[C@@](N(C)C)(C4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-05ox-9210000000-65ffbc20a9a4f47a8161
Source of Spectrum C-87-576-2
Wiley ID 1376121