| SpectraBase Compound ID | 6PRCZMtYOY9 |
|---|---|
| InChI | InChI=1S/C45H42O25/c1-20(46)60-32-12-10-29(11-13-32)43(57)69-44-45(70-28(9)54,19-59-42(56)31-16-35(63-23(4)49)39(66-26(7)52)36(17-31)64-24(5)50)40(67-27(8)53)37(68-44)18-58-41(55)30-14-33(61-21(2)47)38(65-25(6)51)34(15-30)62-22(3)48/h10-17,37,40,44H,18-19H2,1-9H3/t37-,40-,44+,45-/m1/s1 |
| InChIKey | DLHWDBKIQMWRFP-LAGCSBROSA-N |
| Mol Weight | 982.8 g/mol |
| Molecular Formula | C45H42O25 |
| Exact Mass | 982.201517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ArHS1FfZHY |
|---|---|
| Name | 1-O-(4-HYDROXYBENZOYL)-2',5-DI-O-GALLOYL-BETA-D-HAMAMELOFURANOSE-PERACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H42O25 |
| InChI | InChI=1S/C45H42O25/c1-20(46)60-32-12-10-29(11-13-32)43(57)69-44-45(70-28(9)54,19-59-42(56)31-16-35(63-23(4)49)39(66-26(7)52)36(17-31)64-24(5)50)40(67-27(8)53)37(68-44)18-58-41(55)30-14-33(61-21(2)47)38(65-25(6)51)34(15-30)62-22(3)48/h10-17,37,40,44H,18-19H2,1-9H3/t37-,40-,44+,45-/m1/s1 |
| InChIKey | DLHWDBKIQMWRFP-LAGCSBROSA-N |
| Literature Reference Author | C.HABERLAND,H.KOLODZIEJ |
| Literature Reference Citation | PLANTA.MED.,60,464(1994) |
| Literature Reference DOI | 10.1055/s-2006-959533 |
| Molecular Weight | 982.813 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP593 |