| SpectraBase Compound ID | 42RcTIhJUwe |
|---|---|
| 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-APGZKSCESA-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 | 4n8S0fiGaJt |
|---|---|
| Name | PRUNASIN-6'-O-GALLATE |
| Compound Number | 2 |
| 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-APGZKSCESA-N |
| Literature Reference Author | S.K.LING,T.TANAKA,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,65,131(2002) |
| Literature Reference DOI | 10.1021/np010393v |
| Molecular Weight | 447.398 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2729 |