| SpectraBase Compound ID | 8DQq1Zucg1k |
|---|---|
| InChI | InChI=1S/C46H40O17/c1-60-45-29(55)10-19(11-30(45)56)41-31(57)14-23-24(50)15-26(52)34(44(23)62-41)38-36-28(54)16-27(53)35(46(36)63-43(40(38)59)18-4-8-21(48)9-5-18)37-33-25(51)12-22(49)13-32(33)61-42(39(37)58)17-2-6-20(47)7-3-17/h2-13,15-16,31,37-43,47-59H,14H2,1H3/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1 |
| InChIKey | QKCQZHCKCYRFJX-XILRTYJMSA-N |
| Mol Weight | 864.8 g/mol |
| Molecular Formula | C46H40O17 |
| Exact Mass | 864.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 413bDmBHx0J |
|---|---|
| Name | EPIAFZELECHIN-(4-BETA->8)-EPIAFZELECHIN-(4-BETA->8)-4'-O-METHYL-(-)-EPIGALLOCATECHIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H40O17 |
| InChI | InChI=1S/C46H40O17/c1-60-45-29(55)10-19(11-30(45)56)41-31(57)14-23-24(50)15-26(52)34(44(23)62-41)38-36-28(54)16-27(53)35(46(36)63-43(40(38)59)18-4-8-21(48)9-5-18)37-33-25(51)12-22(49)13-32(33)61-42(39(37)58)17-2-6-20(47)7-3-17/h2-13,15-16,31,37-43,47-59H,14H2,1H3/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1 |
| InChIKey | QKCQZHCKCYRFJX-XILRTYJMSA-N |
| Literature Reference Author | V.DIRSCH,A.NESZMELYI,H.WAGNER |
| Literature Reference Citation | PHYTOCHEM.,34,291(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90822-7 |
| Molecular Weight | 864.813 g/mol |
| Solvent | ACETONE-D6:D2O=1:1 |
| Source File Reference | UWLU7277 |