| SpectraBase Compound ID | 8Lxu1YUMnlE |
|---|---|
| InChI | InChI=1S/C76H119O22P3/c1-7-9-11-13-15-17-19-21-23-25-27-29-43-53-69(77)86-59-68(95-70(78)54-44-30-28-26-24-22-20-18-16-14-12-10-8-2)60-94-99(79,85-6)96-74-71(87-61-82-3)72(88-62-83-4)75(97-100(80,90-55-64-45-35-31-36-46-64)91-56-65-47-37-32-38-48-65)76(73(74)89-63-84-5)98-101(81,92-57-66-49-39-33-40-50-66)93-58-67-51-41-34-42-52-67/h31-42,45-52,68,71-76H,7-30,43-44,53-63H2,1-6H3/t68-,71-,72-,73+,74+,75+,76+,99?/m1/s1 |
| InChIKey | JWQIBUFHRLYEGC-SZWJMPRCSA-N |
| Mol Weight | 1477.7 g/mol |
| Molecular Formula | C76H119O22P3 |
| Exact Mass | 1476.740586 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | poCoSnEbjl |
|---|---|
| Name | 1D-O-(1,2-DI-O-PALMITOYL-SN-GLYCEROL-3-O-METHYLPHOSPHO)-2,5,6-O-TRIS-(METHOXYMETHYLENE)-MYO-INOSITOL-3,4-BIS-(DIBENZYLPHOSPHATE) |
| Compound Number | 45 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H119O22P3 |
| InChI | InChI=1S/C76H119O22P3/c1-7-9-11-13-15-17-19-21-23-25-27-29-43-53-69(77)86-59-68(95-70(78)54-44-30-28-26-24-22-20-18-16-14-12-10-8-2)60-94-99(79,85-6)96-74-71(87-61-82-3)72(88-62-83-4)75(97-100(80,90-55-64-45-35-31-36-46-64)91-56-65-47-37-32-38-48-65)76(73(74)89-63-84-5)98-101(81,92-57-66-49-39-33-40-50-66)93-58-67-51-41-34-42-52-67/h31-42,45-52,68,71-76H,7-30,43-44,53-63H2,1-6H3/t68-,71-,72-,73+,74+,75+,76+,99?/m1/s1 |
| InChIKey | JWQIBUFHRLYEGC-SZWJMPRCSA-N |
| Literature Reference Author | R.J.KUBIAK,K.S.BRUZIK |
| Literature Reference Citation | J.ORG.CHEM.,68,960(2003) |
| Literature Reference DOI | 10.1021/jo0206418 |
| Solvent | CDCl3 |
| Source File Reference | UWLU22894 |