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1,3-Di(9,10-epoxyoctadecanoyl)glycerol nicotinoyl derivative
SpectraBase Compound ID CJNku0saldM
InChI InChI=1S/C45H75NO8/c1-3-5-7-9-13-19-28-39-41(53-39)30-21-15-11-17-23-32-43(47)50-35-37(52-45(49)38-27-25-26-34-46-38)36-51-44(48)33-24-18-12-16-22-31-42-40(54-42)29-20-14-10-8-6-4-2/h25-27,34,37,39-42H,3-24,28-33,35-36H2,1-2H3
InChIKey IDRVHFWVNITWHN-UHFFFAOYSA-N
Mol Weight 758.1 g/mol
Molecular Formula C45H75NO8
Exact Mass 757.549268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8T0q6u0ASZ5
Name 1,3-Di(9,10-epoxyoctadecanoyl)glycerol nicotinoyl derivative
Alternate Name(s) 2-{[8-(3-octyl-2-oxiranyl)octanoyl]oxy}-1-({[8-(3-octyl-2-oxiranyl)octanoyl]oxy}methyl)ethyl 2-pyridinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H75NO8
InChI InChI=1S/C45H75NO8/c1-3-5-7-9-13-19-28-39-41(53-39)30-21-15-11-17-23-32-43(47)50-35-37(52-45(49)38-27-25-26-34-46-38)36-51-44(48)33-24-18-12-16-22-31-42-40(54-42)29-20-14-10-8-6-4-2/h25-27,34,37,39-42H,3-24,28-33,35-36H2,1-2H3
InChIKey IDRVHFWVNITWHN-UHFFFAOYSA-N
Molecular Weight 758.094 g/mol
SMILES C1(OC1CCCCCCCC(=O)OCC(OC(c1ncccc1)=O)COC(=O)CCCCCCCC1OC1CCCCCCCC)CCCCCCCC
SPLASH splash10-0ukl-0400169200-6ba1e7f360a0c571b43e
Source of Spectrum O-31-411-0
Wiley ID 1416477