| SpectraBase Compound ID | K143MdAVFas |
|---|---|
| InChI | InChI=1S/C36H63N2OPS/c1-11-37(12-2)40(41,38(13-3)14-4)39-33-22-19-29(8)32(26-33)21-20-31-16-15-25-36(10)34(23-24-35(31)36)30(9)18-17-28(7)27(5)6/h17-18,20-21,27-28,30,33-35H,8,11-16,19,22-26H2,1-7,9-10H3/b18-17+,31-20+,32-21-/t28?,30?,33-,34?,35?,36+/m1/s1 |
| InChIKey | ZGMQIRLDNGPTIO-XPWWEKKXSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C36H63N2OPS |
| Exact Mass | 602.439873 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Fiybe9msxF |
|---|---|
| Name | ERGOCALCIFERYL-3-O-BIS(N,N-DIETHYLAMIDO)THIOPHOSPHATE |
| Comments | , 31P-{1H}, DIASTEREOMERS |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C36H63N2OPS |
| InChI | InChI=1S/C36H63N2OPS/c1-11-37(12-2)40(41,38(13-3)14-4)39-33-22-19-29(8)32(26-33)21-20-31-16-15-25-36(10)34(23-24-35(31)36)30(9)18-17-28(7)27(5)6/h17-18,20-21,27-28,30,33-35H,8,11-16,19,22-26H2,1-7,9-10H3/b18-17+,31-20+,32-21-/t28?,30?,33-,34?,35?,36+/m1/s1 |
| InChIKey | ZGMQIRLDNGPTIO-XPWWEKKXSA-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 |