| SpectraBase Compound ID | GVmWDmPB0Fl |
|---|---|
| InChI | InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)29(43-19)45-27-23(37)20(12-42-21(35)6-3-13-1-4-15(31)17(33)9-13)44-28(26(27)40)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23-,24-,25-,26-,27+,28-,29+/m1/s1 |
| InChIKey | CBZYUWGJNYOKHT-JJVXTYBUSA-N |
| Mol Weight | 640.6 g/mol |
| Molecular Formula | C29H36O16 |
| Exact Mass | 640.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSW1YhhTARH |
|---|---|
| Name | 2-(3,4-DIHYROXYPHENYL)-ETHYL-3-O-BETA-D-ALLOPYRANOSYL-6-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O16 |
| InChI | InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)29(43-19)45-27-23(37)20(12-42-21(35)6-3-13-1-4-15(31)17(33)9-13)44-28(26(27)40)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23-,24-,25-,26-,27+,28-,29+/m1/s1 |
| InChIKey | CBZYUWGJNYOKHT-JJVXTYBUSA-N |
| Literature Reference Author | Y.AMAKURA,A.YOSHIMURA,M.YOSHIMURA,M.YOSHIMURA,T.YOSHIDA |
| Literature Reference Citation | MOLECULES,17,5459(2012) |
| Literature Reference DOI | 10.3390/molecules17055459 |
| Molecular Weight | 640.595 g/mol |
| Sample ID | 820 |
| Solvent | CD3OD |