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BENZYL(1,2-DIPALMITOYL-RAC-GLYCERO-3)(4-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)THIONOPHOSPHATE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID 1i3d2QcJ51N
InChI InChI=1S/C56H95O8PS/c1-9-11-13-15-17-19-21-23-25-27-29-31-36-40-52(57)60-45-49(63-53(58)41-37-32-30-28-26-24-22-20-18-16-14-12-10-2)46-62-65(66,61-44-47-38-34-33-35-39-47)64-48-42-50(55(3,4)5)54(59)51(43-48)56(6,7)8/h33-35,38-39,42-43,49,59H,9-32,36-37,40-41,44-46H2,1-8H3
InChIKey VVGOWDQONUIFGK-UHFFFAOYSA-N
Mol Weight 959.4 g/mol
Molecular Formula C56H95O8PS
Exact Mass 958.648528 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID If6zgOLH8v5
Name BENZYL(1,2-DIPALMITOYL-RAC-GLYCERO-3)(4-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)THIONOPHOSPHATE (DIASTEREOMER MIXTURE)
Comments , SCALE INVERTED! I(64.46):I(63.98)=2:1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C56H95O8PS
InChI InChI=1S/C56H95O8PS/c1-9-11-13-15-17-19-21-23-25-27-29-31-36-40-52(57)60-45-49(63-53(58)41-37-32-30-28-26-24-22-20-18-16-14-12-10-2)46-62-65(66,61-44-47-38-34-33-35-39-47)64-48-42-50(55(3,4)5)54(59)51(43-48)56(6,7)8/h33-35,38-39,42-43,49,59H,9-32,36-37,40-41,44-46H2,1-8H3
InChIKey VVGOWDQONUIFGK-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference E.E.NIFANT'EV, D.A.PREDVODITELEV, M.A.ZOLOTOV (1982) Bioorganich.Khim.(Russ.Lang.): v.8, N9, 1263-1268.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6H6 benzene