![2,6-DIHYDROXY-3,5-DIMETHYL-4-O-(6''-O-GALLOYL-[BETA]-D-GLUCOPYRANOSYL)-BENZOPHENONE](/api/spectrum/6wh0riJukSa/structure.png?h=300&w=458 "2,6-DIHYDROXY-3,5-DIMETHYL-4-O-(6''-O-GALLOYL-[BETA]-D-GLUCOPYRANOSYL)-BENZOPHENONE")
| SpectraBase Compound ID | 3aRXW9LoVH3 |
|---|---|
| InChI | InChI=1S/C21H24O9/c1-9-14(23)13(16(25)11-6-4-3-5-7-11)15(24)10(2)20(9)30-21-19(28)18(27)17(26)12(8-22)29-21/h3-7,12,17-19,21-24,26-28H,8H2,1-2H3/t12-,17-,18+,19-,21+/m1/s1 |
| InChIKey | NFHKLMHDJDJDMB-VIVOITHDSA-N |
| Mol Weight | 420.41 g/mol |
| Molecular Formula | C21H24O9 |
| Exact Mass | 420.142032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wh0riJukSa |
|---|---|
| Name | 2,6-DIHYDROXY-3,5-DIMETHYL-4-O-(6''-O-GALLOYL-[BETA]-D-GLUCOPYRANOSYL)-BENZOPHENONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H24O9 |
| InChI | InChI=1S/C21H24O9/c1-9-14(23)13(16(25)11-6-4-3-5-7-11)15(24)10(2)20(9)30-21-19(28)18(27)17(26)12(8-22)29-21/h3-7,12,17-19,21-24,26-28H,8H2,1-2H3/t12-,17-,18+,19-,21+/m1/s1 |
| InChIKey | NFHKLMHDJDJDMB-VIVOITHDSA-N |
| Literature Reference Author | J.SHU,G.CHOU,Z.WANG |
| Literature Reference Citation | FITOTERAPIA,81,532(2010) |
| Literature Reference DOI | 10.1016/j.fitote.2010.01.014 |
| Molecular Weight | 420.416 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMB1099 |