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(23R)-23-ethylcholestan-3.beta.-ol
SpectraBase Compound ID CUct9PGjjIA
InChI InChI=1S/C29H52O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21+,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey RIQBLHWYKYOTJV-GJAZBXDESA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKoNK05m5Iu
Name (23R)-23-ethylcholestan-3.beta.-ol
CAS Registry Number 83542-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O
InChI InChI=1S/C29H52O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21+,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey RIQBLHWYKYOTJV-GJAZBXDESA-N
Molecular Weight 416.734 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](C[C@](CC(C)C)(CC)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-067i-2090300000-94fd6f76105fecb62f9f
Source of Spectrum KC-1987-1317-66
Synonyms (23S)-23-ethylcholestan-3.beta.-ol (23.zeta.)-23-ethylcholestanol Cholestan-3-ol, 23-ethyl-, (3.beta.,5.alpha.,23R)- Cholestan-3-ol, 23-ethyl-, (3.beta.,5.alpha.,23S)- 23(.zeta.)-23-ethylcholestanol (3beta,5alpha,23S)-23-ethylcholestan-3-ol
Wiley ID 1376715