| SpectraBase Compound ID | G3E8P4g8mxk |
|---|---|
| InChI | InChI=1S/C61H65O13P/c1-64-61-60(71-43-51-35-21-8-22-36-51)53(65-37-45-23-9-2-10-24-45)52(73-61)44-72-75(62,63)74-59-57(69-41-49-31-17-6-18-32-49)55(67-39-47-27-13-4-14-28-47)54(66-38-46-25-11-3-12-26-46)56(68-40-48-29-15-5-16-30-48)58(59)70-42-50-33-19-7-20-34-50/h2-36,52-61H,37-44H2,1H3,(H,62,63)/t52-,53-,54-,55-,56+,57+,58-,59-,60+,61-/m0/s1 |
| InChIKey | QNKNEGHOYOOWSO-KZCUJPLPSA-N |
| Mol Weight | 1037.2 g/mol |
| Molecular Formula | C61H65O13P |
| Exact Mass | 1036.416279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K4ekWJ6vyq2 |
|---|---|
| Name | METHYL_2,3-DI-O-BENZYL-5-(1D-1,2,4,5,6-PENTA-O-BENZYL-MYO-INOSITOL_3-PHOSPHATE)-BETA-D-ARABINOFURANOSIDE |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H64O13P |
| InChI | InChI=1S/C61H65O13P/c1-64-61-60(71-43-51-35-21-8-22-36-51)53(65-37-45-23-9-2-10-24-45)52(73-61)44-72-75(62,63)74-59-57(69-41-49-31-17-6-18-32-49)55(67-39-47-27-13-4-14-28-47)54(66-38-46-25-11-3-12-26-46)56(68-40-48-29-15-5-16-30-48)58(59)70-42-50-33-19-7-20-34-50/h2-36,52-61H,37-44H2,1H3,(H,62,63)/t52-,53-,54-,55-,56+,57+,58-,59-,60+,61-/m0/s1 |
| InChIKey | QNKNEGHOYOOWSO-KZCUJPLPSA-N |
| Literature Reference Author | J.DESIRE,J.PRANDI |
| Literature Reference Citation | CARBOHYDR.RES.,317,110(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00078-6 |
| Molecular Weight | 1036.145 g/mol |
| Solvent | CDCl3:CD3OD=9:1 |
| Source File Reference | UWMZ4766 |