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Cholesta-5,22,24-trien-3-ol, 23-ethyl-, (3.beta.,22E)-
SpectraBase Compound ID 1TIHZTHQLaR
InChI InChI=1S/C29H46O/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/h8,16-17,20,23-27,30H,7,9-15,18H2,1-6H3/b21-17+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey AGRCTCYLKJXHCR-LYXRKEMLSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgV8ItTYI9K
Name Cholesta-5,22,24-trien-3-ol, 23-ethyl-, (3.beta.,22E)-
CAS Registry Number 85735-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/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/h8,16-17,20,23-27,30H,7,9-15,18H2,1-6H3/b21-17+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey AGRCTCYLKJXHCR-LYXRKEMLSA-N
Molecular Weight 410.686 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\(C=C(C)C)CC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-03dr-0910100000-28c7153253cc94a3850e
Source of Spectrum C-105-4416-0
Synonyms (3beta,22E)-23-ethylcholesta-5,22,24-trien-3-ol 23-Ethycholesta-5,22,24-trien-3.beta.-ol
Wiley ID 1373923