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1.alpha.-amino-4,4'-dimethyl-5.alpha.-cholestane
SpectraBase Compound ID 8teYNrhMssM
InChI InChI=1S/C29H53N/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)17-16-26(30)29(25,7)24(21)15-18-28(22,23)6/h19-26H,8-18,30H2,1-7H3/t20-,21+,22-,23+,24+,25+,26+,28-,29-/m1/s1
InChIKey OOZZPJRXQMKTDD-MHYIESPNSA-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 S0Oi3cSM5M
Name 1.alpha.-amino-4,4'-dimethyl-5.alpha.-cholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H53N
InChI InChI=1S/C29H53N/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)17-16-26(30)29(25,7)24(21)15-18-28(22,23)6/h19-26H,8-18,30H2,1-7H3/t20-,21+,22-,23+,24+,25+,26+,28-,29-/m1/s1
InChIKey OOZZPJRXQMKTDD-MHYIESPNSA-N
Molecular Weight 415.750 g/mol
SMILES N[C@@]1([C@@]2([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)CC1)[H])[H])C)[H]
SPLASH splash10-0a4i-9100100000-71f06d428309c1ec4996
Source of Spectrum PL-1982-0-0
Synonyms (1alpha,5alpha)-4,4-dimethylcholestan-1-amine
Wiley ID 1376128