| SpectraBase Compound ID | 9qfz2Hb3epX |
|---|---|
| InChI | InChI=1S/C26H52O22P4/c1-4-6-8-10-12-14-19(27)42-16-18(44-20(28)15-13-11-9-7-5-2)17-43-52(40,41-3)48-23-21(29)24(45-49(31,32)33)26(47-51(37,38)39)25(22(23)30)46-50(34,35)36/h18,21-26,29-30H,4-17H2,1-3H3,(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)/t18-,21-,22-,23-,24+,25-,26-,52?/m1/s1 |
| InChIKey | LQRFXAYOILIWKS-LMQKZHFLSA-N |
| Mol Weight | 840.6 g/mol |
| Molecular Formula | C26H52O22P4 |
| Exact Mass | 840.190071 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ED4pyPgAGao |
|---|---|
| Name | 1D-1-O-(1,2-DI-O-DIOCTANOYL-SN-GLYCEROL-3-O-METHYLPHOSPHO)-MYO-INOSITOL-3,4,5-TRIS-PHOSPHATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H46O22P4 |
| InChI | InChI=1S/C26H52O22P4/c1-4-6-8-10-12-14-19(27)42-16-18(44-20(28)15-13-11-9-7-5-2)17-43-52(40,41-3)48-23-21(29)24(45-49(31,32)33)26(47-51(37,38)39)25(22(23)30)46-50(34,35)36/h18,21-26,29-30H,4-17H2,1-3H3,(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)/t18-,21-,22-,23-,24+,25-,26-,52?/m1/s1 |
| InChIKey | LQRFXAYOILIWKS-LMQKZHFLSA-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 | D2O |
| Source File Reference | UWLU22889 |