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1-OLEOYLOXYETHYL-3-O-(CHOLECALCIFERYL-3-O-)-(N,N-DIETHYLAMIDO)THIOPHOSPHATE
SpectraBase Compound ID JCyfRV0tFVO
InChI InChI=1S/C51H90NO4PS/c1-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31-50(53)54-39-40-55-57(58,52(10-2)11-3)56-47-35-32-43(6)46(41-47)34-33-45-30-27-38-51(8)48(36-37-49(45)51)44(7)29-26-28-42(4)5/h18-19,33-34,42,44,47-49H,6,9-17,20-32,35-41H2,1-5,7-8H3/b19-18+,45-33+,46-34-/t44?,47-,48?,49?,51+,57?/m1/s1
InChIKey ULLMEAHESZLOLU-OMRWKIFSSA-N
Mol Weight 844.3 g/mol
Molecular Formula C51H90NO4PS
Exact Mass 843.632819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMX9zxDVXFW
Name 1-OLEOYLOXYETHYL-3-O-(CHOLECALCIFERYL-3-O-)-(N,N-DIETHYLAMIDO)THIOPHOSPHATE
Comments 5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C51H90NO4PS
InChI InChI=1S/C51H90NO4PS/c1-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31-50(53)54-39-40-55-57(58,52(10-2)11-3)56-47-35-32-43(6)46(41-47)34-33-45-30-27-38-51(8)48(36-37-49(45)51)44(7)29-26-28-42(4)5/h18-19,33-34,42,44,47-49H,6,9-17,20-32,35-41H2,1-5,7-8H3/b19-18+,45-33+,46-34-/t44?,47-,48?,49?,51+,57?/m1/s1
InChIKey ULLMEAHESZLOLU-OMRWKIFSSA-N
Instrument Name Varian XL-300
Literature Reference S.D.STAMATOV, S.GRONOWITZ (1991) Phosphorus and Sulfur: v.61, N1, 137-143.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d