| SpectraBase Compound ID | GhJ38IM94dF |
|---|---|
| InChI | InChI=1S/C71H124NO6PS/c1-11-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-69(73)75-57-66(77-70(74)46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-12-2)58-76-79(80,72(13-3)14-4)78-65-52-49-61(8)64(56-65)51-50-63-44-43-55-71(10)67(53-54-68(63)71)62(9)48-47-60(7)59(5)6/h27-30,47-48,50-51,59-60,62,65-68H,8,11-26,31-46,49,52-58H2,1-7,9-10H3/b29-27+,30-28+,48-47+,63-50+,64-51-/t60?,62?,65-,66?,67?,68?,71+,79?/m1/s1 |
| InChIKey | GZSKDOAYNYDKKD-WJOHDOPISA-N |
| Mol Weight | 1150.8 g/mol |
| Molecular Formula | C71H124NO6PS |
| Exact Mass | 1149.888699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | z0FGn1dc6w |
|---|---|
| Name | 1,2-DIOLEOYL-RAC-GLYCERO-3-O-(ERGOCALCIFERYL-3-O-)-(N,N-DIETHYLAMIDO)THIOPHOSPHATE |
| Comments | Br |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C71H124NO6PS |
| InChI | InChI=1S/C71H124NO6PS/c1-11-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-69(73)75-57-66(77-70(74)46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-12-2)58-76-79(80,72(13-3)14-4)78-65-52-49-61(8)64(56-65)51-50-63-44-43-55-71(10)67(53-54-68(63)71)62(9)48-47-60(7)59(5)6/h27-30,47-48,50-51,59-60,62,65-68H,8,11-26,31-46,49,52-58H2,1-7,9-10H3/b29-27+,30-28+,48-47+,63-50+,64-51-/t60?,62?,65-,66?,67?,68?,71+,79?/m1/s1 |
| InChIKey | GZSKDOAYNYDKKD-WJOHDOPISA-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 |