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Cholest-5-ene
SpectraBase Compound ID 5OsOiAUPXxj
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey DTGDZMYNKLTSKC-HKQCOZBKSA-N
Mol Weight 370.7 g/mol
Molecular Formula C27H46
Exact Mass 370.359951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AU90SNEXeVr
Name Cholest-5-ene
Appearance White needles
Carrier Gas Helium (1.4 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.359951481 u
Formula C27H46
GC Column Macherey-Nagel Optima delta-3 (20 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey DTGDZMYNKLTSKC-HKQCOZBKSA-N
Inlet Type Split
Instrument Name Finnigan Trace GC/MS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201604950
Molecular Weight 370.665 g/mol
Optical Rotation [a]D23 = -56 (c = 1.14, CHCl3)
Quality 287
Reported Formula C27H46
SMILES C1C[C@]2(C(CC1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])[H])C
SPLASH splash10-0a4j-8759000000-829172b15d237fc8e715
Source of Spectrum ACI-55-SM5-2c (DOI: 10.1002/anie.201604950)
Wiley ID 1899221