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3.beta.-amino-3.alpha.-ethylcholestane
SpectraBase Compound ID AFVU5cg9Aty
InChI InChI=1S/C29H53N/c1-7-29(30)18-17-27(5)22(19-29)11-12-23-25-14-13-24(21(4)10-8-9-20(2)3)28(25,6)16-15-26(23)27/h20-26H,7-19,30H2,1-6H3/t21-,22?,23+,24-,25+,26+,27+,28-,29+/m1/s1
InChIKey LVOJEZZFVFLTSF-GAICQMAKSA-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 H94LobiDwGl
Name 3.beta.-amino-3.alpha.-ethylcholestane
Alternate Name(s) (3beta)-3-ethylcholestan-3-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H53N
InChI InChI=1S/C29H53N/c1-7-29(30)18-17-27(5)22(19-29)11-12-23-25-14-13-24(21(4)10-8-9-20(2)3)28(25,6)16-15-26(23)27/h20-26H,7-19,30H2,1-6H3/t21-,22?,23+,24-,25+,26+,27+,28-,29+/m1/s1
InChIKey LVOJEZZFVFLTSF-GAICQMAKSA-N
Molecular Weight 415.750 g/mol
SMILES N[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)CC
SPLASH splash10-000i-9207100000-5ba9b4c910ac858c5d1d
Source of Spectrum PL-1982-0-0
Wiley ID 1376124