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3.beta.-dimethylaminocholestane
SpectraBase Compound ID 6b6YNCXpHKF
InChI InChI=1S/C29H53N/c1-20(2)9-8-10-21(3)25-13-14-26-24-12-11-22-19-23(30(6)7)15-17-28(22,4)27(24)16-18-29(25,26)5/h20-27H,8-19H2,1-7H3/t21-,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey XANNAGNXGOOWOX-MJINEVCRSA-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 DmEwDbg4rkB
Name 3.beta.-dimethylaminocholestane
Alternate Name(s) N-[(3beta)-cholestan-3-yl]-N,N-dimethylamine N-[(3beta)-cholestan-3-yl]-N-methylmethanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H53N
InChI InChI=1S/C29H53N/c1-20(2)9-8-10-21(3)25-13-14-26-24-12-11-22-19-23(30(6)7)15-17-28(22,4)27(24)16-18-29(25,26)5/h20-27H,8-19H2,1-7H3/t21-,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey XANNAGNXGOOWOX-MJINEVCRSA-N
Molecular Weight 415.750 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@](N(C)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-00lr-9200400000-6c0034ab271e50753cc1
Source of Spectrum PL-1982-0-0
Wiley ID 1376134