| SpectraBase Compound ID | DPMKNU9U0ZC |
|---|---|
| InChI | InChI=1S/C52H101O18P/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(53)62-37-44(69-46(54)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)38-68-71(55,61-8)70-52-50(66-42-59-6)48(64-40-57-4)47(63-39-56-3)49(65-41-58-5)51(52)67-43-60-7/h44,47-52H,9-43H2,1-8H3/t44-,47-,48-,49+,50+,51+,52-,71?/m1/s1 |
| InChIKey | YGOWFOVKUSESNK-KXUCZFSLSA-N |
| Mol Weight | 1045.3 g/mol |
| Molecular Formula | C52H101O18P |
| Exact Mass | 1044.672553 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKfu2fwd0RM |
|---|---|
| Name | 1D-O-(1,2-DI-O-PALMITOYL-SN-GLYCEROL-3-O-METHYLPHOSPHO)-2,3,4,5,6-O-PENTAKIS-(METHOXYMETHYLENE)-MYO-INOSITOL |
| Compound Number | 55 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H101O18P |
| InChI | InChI=1S/C52H101O18P/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(53)62-37-44(69-46(54)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)38-68-71(55,61-8)70-52-50(66-42-59-6)48(64-40-57-4)47(63-39-56-3)49(65-41-58-5)51(52)67-43-60-7/h44,47-52H,9-43H2,1-8H3/t44-,47-,48-,49+,50+,51+,52-,71?/m1/s1 |
| InChIKey | YGOWFOVKUSESNK-KXUCZFSLSA-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 | UWLU22895 |