| SpectraBase Compound ID | Ha4IS7zIfy |
|---|---|
| InChI | InChI=1S/C64H110O20P2/c1-8-10-12-14-16-18-20-22-24-26-28-30-38-44-57(65)74-48-56(82-58(66)45-39-31-29-27-25-23-21-19-17-15-13-11-9-2)49-81-85(67,73-7)83-63-60(76-51-70-4)59(75-50-69-3)61(77-52-71-5)64(62(63)78-53-72-6)84-86(68,79-46-54-40-34-32-35-41-54)80-47-55-42-36-33-37-43-55/h32-37,40-43,56,59-64H,8-31,38-39,44-53H2,1-7H3/t56-,59-,60+,61+,62-,63+,64-,85?/m0/s1 |
| InChIKey | TWEDDMIUGXQKNU-RAXZRPRASA-N |
| Mol Weight | 1261.5 g/mol |
| Molecular Formula | C64H110O20P2 |
| Exact Mass | 1260.70657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 645eqkMdKFa |
|---|---|
| Name | 1D-O-(1,2-DI-O-PALMITOYL-SN-GLYCEROL-3-O-METHYLPHOSPHO)-2,3,4,6-O-TETRAKIS-(METHOXYMETHYLENE)-MYO-INOSITOL-5-O-(DIBENZYLPHOSPHATE) |
| Compound Number | 62 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H110O20P2 |
| InChI | InChI=1S/C64H110O20P2/c1-8-10-12-14-16-18-20-22-24-26-28-30-38-44-57(65)74-48-56(82-58(66)45-39-31-29-27-25-23-21-19-17-15-13-11-9-2)49-81-85(67,73-7)83-63-60(76-51-70-4)59(75-50-69-3)61(77-52-71-5)64(62(63)78-53-72-6)84-86(68,79-46-54-40-34-32-35-41-54)80-47-55-42-36-33-37-43-55/h32-37,40-43,56,59-64H,8-31,38-39,44-53H2,1-7H3/t56-,59-,60+,61+,62-,63+,64-,85?/m0/s1 |
| InChIKey | TWEDDMIUGXQKNU-RAXZRPRASA-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 |
| Molecular Weight | 1261.513 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU22864 |