| SpectraBase Compound ID | EH4ESzgP5Te |
|---|---|
| InChI | InChI=1S/C27H30O43S9/c1-8-18(65-74(39,40)41)22(67-76(45,46)47)24(69-78(51,52)53)26(58-8)57-7-15-20(66-75(42,43)44)23(68-77(48,49)50)25(70-79(54,55)56)27(60-15)61-21-17(29)16-11(28)5-10(62-71(30,31)32)6-14(16)59-19(21)9-2-3-12(63-72(33,34)35)13(4-9)64-73(36,37)38/h2-6,8,15,18,20,22-28H,7H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56) |
| InChIKey | BYUSVCDDJTUVLJ-UHFFFAOYSA-N |
| Mol Weight | 1331.0 g/mol |
| Molecular Formula | C27H30O43S9 |
| Exact Mass | 1329.76472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4CMTT0XUzn0 |
|---|---|
| Name | RUTIN_2'',2''',3',3'',3''',4',4'',4''',7-O-NONASULFIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O43S9 |
| InChI | InChI=1S/C27H30O43S9/c1-8-18(65-74(39,40)41)22(67-76(45,46)47)24(69-78(51,52)53)26(58-8)57-7-15-20(66-75(42,43)44)23(68-77(48,49)50)25(70-79(54,55)56)27(60-15)61-21-17(29)16-11(28)5-10(62-71(30,31)32)6-14(16)59-19(21)9-2-3-12(63-72(33,34)35)13(4-9)64-73(36,37)38/h2-6,8,15,18,20,22-28H,7H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56) |
| InChIKey | BYUSVCDDJTUVLJ-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 | 1331.049 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ47112 |