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Cholesta-5,22-dien-3-ol, 23-ethyl-, (3.beta.,22E)-
SpectraBase Compound ID ANEd1CgqKrW
InChI InChI=1S/C29H48O/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/h8,17,19-20,23-27,30H,7,9-16,18H2,1-6H3/b21-17+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey YKDNSWUTOXEWDL-LYXRKEMLSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76YNGgtv3xz
Name Cholesta-5,22-dien-3-ol, 23-ethyl-, (3.beta.,22E)-
CAS Registry Number 114174-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/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/h8,17,19-20,23-27,30H,7,9-16,18H2,1-6H3/b21-17+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey YKDNSWUTOXEWDL-LYXRKEMLSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](\C=C\(CC(C)C)CC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0bt9-4093200000-dd1f78371cf77f6af813
Source of Spectrum KC-1987-1316-52
Synonyms (3beta,22E)-23-ethylcholesta-5,22-dien-3-ol (E)-23-Ethylcholesta-5,22-dien-3.beta.-ol
Wiley ID 1374836