| SpectraBase Compound ID | 3H0Oju4ki5M |
|---|---|
| InChI | InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39+,40+,41-/m1/s1 |
| InChIKey | IBUKXRINTKQBRQ-PLWKSVIPSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C41H79O13P |
| Exact Mass | 810.52583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkCs67I0ZmE |
|---|---|
| Name | Dipalmitoyl-L-alpha-phosphatidyl-D-myo-inositol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 810.525829589 u |
| Formula | C41H79O13P |
| InChI | InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39+,40+,41-/m1/s1 |
| InChIKey | IBUKXRINTKQBRQ-PLWKSVIPSA-N |
| Molecular Weight | 811.044 g/mol |
| Nominal Mass | 810 u |
| SMILES | [C@]1(O)([C@](OP(=O)(O)OC[C@](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)[H])([C@]([C@@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])(O)[H])[H])[H] |