| 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
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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 |