| SpectraBase Compound ID | 9x6o6sH3LEt |
|---|---|
| InChI | InChI=1S/C28H34O33S6/c1-10-21(56-62(32,33)34)23(58-64(38,39)40)25(60-66(44,45)46)27(52-10)51-9-19-22(57-63(35,36)37)24(59-65(41,42)43)26(61-67(47,48)49)28(55-19)53-12-6-14(30)20-15(31)8-17(54-18(20)7-12)11-3-4-16(50-2)13(29)5-11/h3-7,10,17,19,21-30H,8-9H2,1-2H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49) |
| InChIKey | DEWCXFQJAREIFV-UHFFFAOYSA-N |
| Mol Weight | 1090.9 g/mol |
| Molecular Formula | C28H34O33S6 |
| Exact Mass | 1089.930661 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HC42z3YC0RZ |
|---|---|
| Name | HESPERIDIN_2'',2''',3'',3''',4'',4'''-O-HEXASULFATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34O33S6 |
| InChI | InChI=1S/C28H34O33S6/c1-10-21(56-62(32,33)34)23(58-64(38,39)40)25(60-66(44,45)46)27(52-10)51-9-19-22(57-63(35,36)37)24(59-65(41,42)43)26(61-67(47,48)49)28(55-19)53-12-6-14(30)20-15(31)8-17(54-18(20)7-12)11-3-4-16(50-2)13(29)5-11/h3-7,10,17,19,21-30H,8-9H2,1-2H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49) |
| InChIKey | DEWCXFQJAREIFV-UHFFFAOYSA-N |
| Literature Reference Author | M.CORREIA-DA-SILVA,E.SOUSA,B.DUARTE,F.MARQUES,F.CARVALHO,L.M .CUNHA-RIBEIRO,M.M.M |
| Literature Reference Citation | J.MED.CHEM.,54,95(2011) |
| Literature Reference DOI | 10.1021/jm1013117 |
| Molecular Weight | 1090.918 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ47111 |