| SpectraBase Compound ID | 2T2BjWgtNWx |
|---|---|
| InChI | InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34-,40-,41-/m1/s1 |
| InChIKey | ZEASWHWETFMWCV-ISBUVJFSSA-N |
| Mol Weight | 868.7 g/mol |
| Molecular Formula | C43H32O20 |
| Exact Mass | 868.148693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66vynp673cp |
|---|---|
| Name | THEAFLAVIN_DIGALLATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H32O20 |
| InChI | InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34-,40-,41-/m1/s1 |
| InChIKey | ZEASWHWETFMWCV-ISBUVJFSSA-N |
| Literature Reference Author | A.L.DAVIS,Y.CAI,A.P.DAVIES |
| Literature Reference Citation | MAGN.RES.CHEM.,33,549(1995) |
| Literature Reference DOI | 10.1002/mrc.1260330709 |
| Molecular Weight | 868.715 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ4858 |