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Cholesta-5,24-dien-3-ol, 23-ethyl-, (3.beta.,23R)-
SpectraBase Compound ID 5bDK0MdiJ6h
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/h8,16,20-21,23-27,30H,7,9-15,17-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey SIRVPQYXIBTVFP-FBZNIEFRSA-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 BYaXn1l4SM0
Name Cholesta-5,24-dien-3-ol, 23-ethyl-, (3.beta.,23R)-
CAS Registry Number 114174-09-3
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/h8,16,20-21,23-27,30H,7,9-15,17-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey SIRVPQYXIBTVFP-FBZNIEFRSA-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@](C=C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0k92-9033000000-70c83903739eabadc7c0
Source of Spectrum KC-1987-1316-51
Synonyms (23R)-23-ethylcholesta-5,24-dien-3.beta.-ol (3beta,23R)-23-ethylcholesta-5,24-dien-3-ol
Wiley ID 1374834