| SpectraBase Compound ID | 5Vo4AnYSS9h |
|---|---|
| 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-SLCHURHBSA-N |
| Mol Weight | 1477.7 g/mol |
| Molecular Formula | C76H119O22P3 |
| Exact Mass | 1476.740586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IRJaO54MFfO |
|---|---|
| Name | 1D-o-(1,2-di-o-Palmitoyl-sn-glycerol-3-o-methylphospho)-2,3,6-o-tris-(methoxymethylene)-myo-inositol-4,5-bis-(dibenzylphosphate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1476.740586444 u |
| 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-SLCHURHBSA-N |
| Molecular Weight | 1477.687 g/mol |
| SMILES | [C@]1(OCOC)([C@]([C@]([C@]([C@@]([C@]1(OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1)[H])(OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1)[H])(OCOC)[H])(OCOC)[H])(OP(=O)(OC)OC[C@](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)[H])[H])[H] |