| SpectraBase Compound ID | 8jrQQ1u13uO |
|---|---|
| InChI | InChI=1S/C21H21NO10/c22-8-14(10-4-2-1-3-5-10)31-21-19(28)18(27)17(26)15(32-21)9-30-20(29)11-6-12(23)16(25)13(24)7-11/h1-7,14-15,17-19,21,23-28H,9H2/t14-,15-,17+,18+,19-,21-/m0/s1 |
| InChIKey | BYILEHCAHZEAIX-MJOPFJQDSA-N |
| Mol Weight | 447.4 g/mol |
| Molecular Formula | C21H21NO10 |
| Exact Mass | 447.116546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqoY3lnUlM8 |
|---|---|
| Name | 6'-O-GALLOYLPRUNASIN |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H21NO10 |
| InChI | InChI=1S/C21H21NO10/c22-8-14(10-4-2-1-3-5-10)31-21-19(28)18(27)17(26)15(32-21)9-30-20(29)11-6-12(23)16(25)13(24)7-11/h1-7,14-15,17-19,21,23-28H,9H2/t14-,15-,17+,18+,19-,21-/m0/s1 |
| InChIKey | BYILEHCAHZEAIX-MJOPFJQDSA-N |
| Literature Reference Author | J.H.ISAZA,H.ITO,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,58,321(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00247-3 |
| Molecular Weight | 447.398 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWLU2800 |