| SpectraBase Compound ID | 5fSA4pv8p4I |
|---|---|
| InChI | InChI=1S/C21H22O14/c1-32-21-17(29)18(35-20(31)8-4-11(24)15(27)12(25)5-8)16(28)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3/t13-,16-,17-,18+,21+/m0/s1 |
| InChIKey | AVJBTAIWULIMFT-GXQAHVQNSA-N |
| Mol Weight | 498.39 g/mol |
| Molecular Formula | C21H22O14 |
| Exact Mass | 498.100955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31GhiJapE5N |
|---|---|
| Name | METHYL-3,6-DI-O-GALLOYL-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O14 |
| InChI | InChI=1S/C21H22O14/c1-32-21-17(29)18(35-20(31)8-4-11(24)15(27)12(25)5-8)16(28)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3/t13-,16-,17-,18+,21+/m0/s1 |
| InChIKey | AVJBTAIWULIMFT-GXQAHVQNSA-N |
| Literature Reference Author | C.W.LI,H.J.DONG,C.B.CUI |
| Literature Reference Citation | MOLECULES,20,2034(2015) |
| Literature Reference DOI | 10.3390/molecules20022034 |
| Molecular Weight | 498.397 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPA2107 |