| SpectraBase Compound ID | 7hELIEoFoLm |
|---|---|
| InChI | InChI=1S/C49H46O29/c1-20(50)66-34-12-31(13-35(67-21(2)51)41(34)72-26(7)56)45(61)64-18-40-44(75-29(10)59)49(78-30(11)60,19-65-46(62)32-14-36(68-22(3)52)42(73-27(8)57)37(15-32)69-23(4)53)48(76-40)77-47(63)33-16-38(70-24(5)54)43(74-28(9)58)39(17-33)71-25(6)55/h12-17,40,44,48H,18-19H2,1-11H3/t40-,44-,48-,49-/m0/s1 |
| InChIKey | HCFGBRHVKODARP-MHWOXGRCSA-N |
| Mol Weight | 1098.9 g/mol |
| Molecular Formula | C49H46O29 |
| Exact Mass | 1098.212475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBaCSFBWEU1 |
|---|---|
| Name | 1,2',5-TRI-O-GALLOYL-ALPHA-D-HAMAMELOFURANOSE-PERACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H46O29 |
| InChI | InChI=1S/C49H46O29/c1-20(50)66-34-12-31(13-35(67-21(2)51)41(34)72-26(7)56)45(61)64-18-40-44(75-29(10)59)49(78-30(11)60,19-65-46(62)32-14-36(68-22(3)52)42(73-27(8)57)37(15-32)69-23(4)53)48(76-40)77-47(63)33-16-38(70-24(5)54)43(74-28(9)58)39(17-33)71-25(6)55/h12-17,40,44,48H,18-19H2,1-11H3/t40-,44-,48-,49-/m0/s1 |
| InChIKey | HCFGBRHVKODARP-MHWOXGRCSA-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 | 1098.887 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP591 |