For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cholesterilene
SpectraBase Compound ID LpbS1WSCbq
InChI InChI=1S/C27H44/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/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey RLHIRZFWJBOHHD-HKQCOZBKSA-N
Mol Weight 368.6 g/mol
Molecular Formula C27H44
Exact Mass 368.344301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Lv63frbudc3
Name CHOLESTA-3,5-DIENE
CAS Registry Number 747-90-0
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 368.344301417 u
Formula C27H44
InChI InChI=1S/C27H44/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/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey RLHIRZFWJBOHHD-HKQCOZBKSA-N
Molecular Weight 368.649 g/mol
Nominal Mass 368 u
Number of Peaks 82
SMILES C=1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-014i-9726000000-5a9bd0d4ea9d3a988328
Source File Reference LMCM-35260-728W
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms CHOLEST-3,5-DIENE (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 4_584