| SpectraBase Compound ID | 9RLMiIuXn1W |
|---|---|
| InChI | InChI=1S/C28H25NO14/c29-10-19(12-4-2-1-3-5-12)41-28-24(37)23(36)25(43-27(39)14-8-17(32)22(35)18(33)9-14)20(42-28)11-40-26(38)13-6-15(30)21(34)16(31)7-13/h1-9,19-20,23-25,28,30-37H,11H2/t19-,20-,23-,24-,25-,28-/m0/s1 |
| InChIKey | HQGQLVSCWLLIQT-GVILKCFNSA-N |
| Mol Weight | 599.5 g/mol |
| Molecular Formula | C28H25NO14 |
| Exact Mass | 599.127504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73ug74BDNfL |
|---|---|
| Name | PRUNASIN-4',6'-DI-O-GALLATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H25NO14 |
| InChI | InChI=1S/C28H25NO14/c29-10-19(12-4-2-1-3-5-12)41-28-24(37)23(36)25(43-27(39)14-8-17(32)22(35)18(33)9-14)20(42-28)11-40-26(38)13-6-15(30)21(34)16(31)7-13/h1-9,19-20,23-25,28,30-37H,11H2/t19-,20-,23-,24-,25-,28-/m0/s1 |
| InChIKey | HQGQLVSCWLLIQT-GVILKCFNSA-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 | 599.505 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWSI2732 |