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CHOLEST-5-EN-3.BETA.-YL LAURATE
SpectraBase Compound ID KTZzhvWCyj1
InChI InChI=1S/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3/t30-,32+,33?,34-,35?,36?,38+,39-/m1/s1
InChIKey RMLFYKFCGMSLTB-CMUGQNSHSA-N
Mol Weight 569.0 g/mol
Molecular Formula C39H68O2
Exact Mass 568.521931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60Z4NwTh00g
Name CHOLEST-5-EN-3.BETA.-YL LAURATE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 568.521931428 u
Formula C39H68O2
InChI InChI=1S/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3/t30-,32+,33?,34-,35?,36?,38+,39-/m1/s1
InChIKey RMLFYKFCGMSLTB-CMUGQNSHSA-N
Molecular Weight 568.971 g/mol
Nominal Mass 568 u
Number of Peaks 57
SMILES C(CCCCCCCCCCC)(=O)O[C@]1(CC[C@@]2(C3CC[C@@]4([C@](CCC4C3CC=C2C1)([C@@](CCCC(C)C)(C)[H])[H])C)C)[H]
SPLASH splash10-014i-7209000000-363247fabd6bf7164a79
Source File Reference LMCM-84425-543N
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3.BETA.-LAURYLOXY-CHOLEST-5-ENE (3S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl dodecanoate
Wiley ID 4_105