| SpectraBase Compound ID | 1CkPDJwakDf |
|---|---|
| InChI | InChI=1S/C40H58O24/c1-19(55-39-37(61-27(9)47)35(59-25(7)45)33(57-23(5)43)29(63-39)17-53-21(3)41)15-31(49)51-13-11-12-14-52-32(50)16-20(2)56-40-38(62-28(10)48)36(60-26(8)46)34(58-24(6)44)30(64-40)18-54-22(4)42/h19-20,29-30,33-40H,11-18H2,1-10H3/t19?,20?,29-,30-,33-,34-,35+,36+,37-,38-,39-,40-/m1/s1 |
| InChIKey | OVUYDGMDSMERPT-MFICODDQSA-N |
| Mol Weight | 922.9 g/mol |
| Molecular Formula | C40H58O24 |
| Exact Mass | 922.331803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2GPtjO1iQio |
|---|---|
| Name | ETHYL-3-O-(TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-BUTANOATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H58O24 |
| InChI | InChI=1S/C40H58O24/c1-19(55-39-37(61-27(9)47)35(59-25(7)45)33(57-23(5)43)29(63-39)17-53-21(3)41)15-31(49)51-13-11-12-14-52-32(50)16-20(2)56-40-38(62-28(10)48)36(60-26(8)46)34(58-24(6)44)30(64-40)18-54-22(4)42/h19-20,29-30,33-40H,11-18H2,1-10H3/t19?,20?,29-,30-,33-,34-,35+,36+,37-,38-,39-,40-/m1/s1 |
| InChIKey | OVUYDGMDSMERPT-MFICODDQSA-N |
| Literature Reference Author | D.KRAJEWSKI,C.DUQUE,P.SCHREIER |
| Literature Reference Citation | PHYTOCHEM.,45,1627(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00196-9 |
| Molecular Weight | 922.886 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP355 |