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1,2-Dihexadecanoylglycero-3-selenonphosphohomoholine

View entire compound with spectra: 2 NMR

1,2-Dihexadecanoylglycero-3-selenonphosphohomoholine
SpectraBase Compound ID 3wf1x11rWPG
InChI InChI=1S/C41H82NO7PSe/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-33-40(43)46-37-39(38-48-50(45,51)47-36-32-35-42(3,4)5)49-41(44)34-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3
InChIKey HJFMAXFNKGQEFX-UHFFFAOYSA-N
Mol Weight 811.1 g/mol
Molecular Formula C41H82NO7PSe
Exact Mass 811.499413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hZOKIoagLI
Name 1,2-Dihexadecanoylglycero-3-selenonphosphohomoholine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 811.499412975 u
Formula C41H82NO7PSe
InChI InChI=1S/C41H82NO7PSe/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-33-40(43)46-37-39(38-48-50(45,51)47-36-32-35-42(3,4)5)49-41(44)34-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3
InChIKey HJFMAXFNKGQEFX-UHFFFAOYSA-N
Molecular Weight 811.053 g/mol
SMILES C(C(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OP(=[Se])([O-])OCCC[N+](C)(C)C