| SpectraBase Compound ID | E6jeuhbJxdz |
|---|---|
| InChI | InChI=1S/C59H58O28/c1-24(60)73-38-19-45(79-30(7)66)50-46(20-38)85-54(37-14-16-41(75-26(3)62)44(18-37)78-29(6)65)57(83-34(11)70)52(50)51-47(86-59-58(84-35(12)71)56(82-33(10)69)49(23-72-59)81-32(9)68)22-42(76-27(4)63)39-21-48(80-31(8)67)53(87-55(39)51)36-13-15-40(74-25(2)61)43(17-36)77-28(5)64/h13-20,22,48-49,52-54,56-59H,21,23H2,1-12H3/t48-,49+,52-,53-,54-,56-,57-,58+,59-/m1/s1 |
| InChIKey | VAJYYOZYYVPBQJ-DFVGKTRRSA-N |
| Mol Weight | 1215.1 g/mol |
| Molecular Formula | C59H58O28 |
| Exact Mass | 1214.311461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rjWwKDkmgk |
|---|---|
| Name | DODECA-O-ACETYL-EPICATECHIN-(4-BETA->8)-7-O-BETA-XYLOPYRANOSYL-EPICATECHIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H58O28 |
| InChI | InChI=1S/C59H58O28/c1-24(60)73-38-19-45(79-30(7)66)50-46(20-38)85-54(37-14-16-41(75-26(3)62)44(18-37)78-29(6)65)57(83-34(11)70)52(50)51-47(86-59-58(84-35(12)71)56(82-33(10)69)49(23-72-59)81-32(9)68)22-42(76-27(4)63)39-21-48(80-31(8)67)53(87-55(39)51)36-13-15-40(74-25(2)61)43(17-36)77-28(5)64/h13-20,22,48-49,52-54,56-59H,21,23H2,1-12H3/t48-,49+,52-,53-,54-,56-,57-,58+,59-/m1/s1 |
| InChIKey | VAJYYOZYYVPBQJ-DFVGKTRRSA-N |
| Literature Reference Author | M.BEKKER,R.BEKKER,V.E.BRANDT |
| Literature Reference Citation | PHYTOCHEM.,67,818(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.01.015 |
| Molecular Weight | 1215.093 g/mol |
| Sample ID | 66186 |
| Solvent | CDCl3 |