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Cholest-4-ene
SpectraBase Compound ID FCBKjJoNmF0
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/h11,19-20,22-25H,6-10,12-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey YWHWYTRNKBGSRE-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 4WZI5T1q51U
Name CHOLEST-4-ENE
CAS Registry Number 16732-86-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 370.359951481 u
Formula C27H46
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/h11,19-20,22-25H,6-10,12-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey YWHWYTRNKBGSRE-HKQCOZBKSA-N
Molecular Weight 370.665 g/mol
Nominal Mass 370 u
Number of Peaks 84
SMILES C1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-0596-9513000000-a8d9c73b25c444f2680c
Source File Reference LMCM-53461-978H
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 4_586