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1-Oleoyl-3-tigloylglycerol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Oleoyl-3-tigloylglycerol
SpectraBase Compound ID EoX0nfkfUku
InChI InChI=1S/C26H46O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28)30-21-24(27)22-31-26(29)23(3)5-2/h5,12-13,24,27H,4,6-11,14-22H2,1-3H3/b13-12-,23-5+
InChIKey OBFBLOQVZVGVFU-XRTYPLSFSA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H46O5
Exact Mass 438.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hoICBj0knV
Name 1-Oleoyl-3-tigloylglycerol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.334524576 u
Formula C26H46O5
InChI InChI=1S/C26H46O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28)30-21-24(27)22-31-26(29)23(3)5-2/h5,12-13,24,27H,4,6-11,14-22H2,1-3H3/b13-12-,23-5+
InChIKey OBFBLOQVZVGVFU-XRTYPLSFSA-N
Molecular Weight 438.649 g/mol
SMILES C(\C(=C\C)C)(OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)O)=O