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Cholesta-5,20(22)-dien-3-ol, 23-ethyl-, (3.beta.,20Z,23R)-
SpectraBase Compound ID G38UMfXC0f0
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/h8,17,19,21,23-27,30H,7,9-16,18H2,1-6H3/b20-17-/t21-,23-,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey VZFBXPSRGSHTLF-CMSMQVGASA-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 IyRvcORVrFK
Name Cholesta-5,20(22)-dien-3-ol, 23-ethyl-, (3.beta.,20Z,23R)-
Alternate Name(s) (23R)-23-ethylcholesta-5,20(22)-dien-3.beta.-ol (3beta,20Z,23S)-23-ethylcholesta-5,20(22)-dien-3-ol
CAS Registry Number 114174-12-8
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/h8,17,19,21,23-27,30H,7,9-16,18H2,1-6H3/b20-17-/t21-,23-,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey VZFBXPSRGSHTLF-CMSMQVGASA-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)[H])C)[H])[H])C)[H])C)[H]
SPLASH splash10-00di-0090100000-02ee6ea007cace6e3e29
Source of Spectrum KC-1987-1316-57
Wiley ID 1374839