| SpectraBase Compound ID | FvJ1tGcxZZJ |
|---|---|
| InChI | InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,35,37,46H,6-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1/i2D,9D,11D2,13D2,17D2,21D2,28D2,32D2,40D/t9?,40?,46- |
| InChIKey | GLPAGCOJQYNMCC-VQVUPJJCSA-N |
| Mol Weight | 851.3 g/mol |
| Molecular Formula | C48H712H15NO8P |
| Exact Mass | 850.703257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UXCKBaZBCa |
|---|---|
| Name | 1-STEAROYL-(D34)-2-DOCOSAPENTAENOYL-SN-GLYCERO-3-PHOSPHOCOLINE |
| Compound Number | SN-2-DPA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H712H15NO8P |
| InChI | InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,35,37,46H,6-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1/i2D,9D,11D2,13D2,17D2,21D2,28D2,32D2,40D/t9?,40?,46- |
| InChIKey | GLPAGCOJQYNMCC-VQVUPJJCSA-N |
| Literature Reference Author | N.V.ELDHO,S.E.FELLER,S.TRISTRAM-NAGLE,I.V.POLOZOV,K.GAWRISCH |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,6409(2003) |
| Literature Reference DOI | 10.1021/ja029029o |
| Molecular Weight | 851.279 g/mol |
| Sample ID | 41098 |
| Solvent | Unknown |