| SpectraBase Compound ID | 3wU3FEjSXLo |
|---|---|
| InChI | InChI=1S/C21H20O15S.Na/c22-6-13-15(26)17(28)18(29)21(34-13)35-20-16(27)14-10(25)4-8(23)5-12(14)33-19(20)7-1-2-9(24)11(3-7)36-37(30,31)32;/h1-5,13,15,17-18,21-26,28-29H,6H2,(H,30,31,32);/q;+1/p-1/t13-,15-,17+,18-,21+;/m1./s1 |
| InChIKey | SZTOYDFPTCKULE-NMPVGNQTSA-M |
| Mol Weight | 566.42 g/mol |
| Molecular Formula | C21H19NaO15S |
| Exact Mass | 566.034235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQIeSFOrKAp |
|---|---|
| Name | CENTABRACTEIN;QUERCETIN-3-O-BETA-D-GLUCOPYRANOSIDE-3'-SULPHATE-SODIUM-SALT |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H19NaO15S |
| InChI | InChI=1S/C21H20O15S.Na/c22-6-13-15(26)17(28)18(29)21(34-13)35-20-16(27)14-10(25)4-8(23)5-12(14)33-19(20)7-1-2-9(24)11(3-7)36-37(30,31)32;/h1-5,13,15,17-18,21-26,28-29H,6H2,(H,30,31,32);/q;+1/p-1/t13-,15-,17+,18-,21+;/m1./s1 |
| InChIKey | SZTOYDFPTCKULE-NMPVGNQTSA-M |
| Literature Reference Author | G.FLAMINI,E.ANTOGNOLI,I.MORELLI |
| Literature Reference Citation | PHYTOCHEM.,57,559(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00066-8 |
| Molecular Weight | 566.423 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN2277 |