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2-nicotinoyl-1,3-dioctadecanoylglycerol
SpectraBase Compound ID 7Kdk14zqCMM
InChI InChI=1S/C45H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43(47)50-39-42(52-45(49)41-34-33-37-46-38-41)40-51-44(48)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,42H,3-32,35-36,39-40H2,1-2H3
InChIKey RLDWYZXXQUSGGP-UHFFFAOYSA-N
Mol Weight 730.1 g/mol
Molecular Formula C45H79NO6
Exact Mass 729.590739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjqVaTh2g8p
Name 2-nicotinoyl-1,3-dioctadecanoylglycerol
Alternate Name(s) 2-(stearoyloxy)-1-[(stearoyloxy)methyl]ethyl nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H79NO6
InChI InChI=1S/C45H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43(47)50-39-42(52-45(49)41-34-33-37-46-38-41)40-51-44(48)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,42H,3-32,35-36,39-40H2,1-2H3
InChIKey RLDWYZXXQUSGGP-UHFFFAOYSA-N
Molecular Weight 730.128 g/mol
SMILES C(c1cnccc1)(OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)=O
SPLASH splash10-00di-0900003000-299c1ee31c48c8f8670c
Source of Spectrum O-29-253-0
Wiley ID 1415893