| SpectraBase Compound ID | L0wJLJdzpZ7 |
|---|---|
| InChI | InChI=1S/C52H90NO4PS/c1-10-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-51(54)55-39-40-56-58(59,53(11-2)12-3)57-48-35-32-44(7)47(41-48)34-33-46-28-27-38-52(9)49(36-37-50(46)52)45(8)31-30-43(6)42(4)5/h19-20,30-31,33-34,42-43,45,48-50H,7,10-18,21-29,32,35-41H2,1-6,8-9H3/b20-19+,31-30+,46-33+,47-34-/t43?,45?,48-,49?,50?,52+,58?/m1/s1 |
| InChIKey | DFFQCPYHECYSFJ-SDHZNHRJSA-N |
| Mol Weight | 856.3 g/mol |
| Molecular Formula | C52H90NO4PS |
| Exact Mass | 855.632819 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHbGYVbYVH7 |
|---|---|
| Name | 1-OLEOYLOXYETHYL-2-O-(ERGOCALCIFERYL-3-O-)-(N,N-DIETHYLAMIDO)THIOPHOSPHATE |
| Comments | , 31P-{1H} |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C52H90NO4PS |
| InChI | InChI=1S/C52H90NO4PS/c1-10-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-51(54)55-39-40-56-58(59,53(11-2)12-3)57-48-35-32-44(7)47(41-48)34-33-46-28-27-38-52(9)49(36-37-50(46)52)45(8)31-30-43(6)42(4)5/h19-20,30-31,33-34,42-43,45,48-50H,7,10-18,21-29,32,35-41H2,1-6,8-9H3/b20-19+,31-30+,46-33+,47-34-/t43?,45?,48-,49?,50?,52+,58?/m1/s1 |
| InChIKey | DFFQCPYHECYSFJ-SDHZNHRJSA-N |
| Instrument Name | Varian XL-300 |
| Literature Reference | S.D.STAMATOV, S.GRONOWITZ (1991) Phosphorus and Sulfur: v.61, N1, 137-143. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |