| SpectraBase Compound ID | 4mnt56wRbA7 |
|---|---|
| InChI | InChI=1S/C33H42O46S9/c1-14-24(74-83(45,46)47)28(76-85(51,52)53)30(78-87(57,58)59)32(70-14)66-13-21-26(75-84(48,49)50)29(77-86(54,55)56)31(79-88(60,61)62)33(72-21)73-27-23(35)22-17(34)11-16(63-4-7-67-80(36,37)38)12-20(22)71-25(27)15-2-3-18(64-5-8-68-81(39,40)41)19(10-15)65-6-9-69-82(42,43)44/h2-3,10-12,14,21,24,26,28-34H,4-9,13H2,1H3,(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)(H,57,58,59)(H,60,61,62) |
| InChIKey | CKBRFRWMLGIIFN-UHFFFAOYSA-N |
| Mol Weight | 1463.2 g/mol |
| Molecular Formula | C33H42O46S9 |
| Exact Mass | 1461.843364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpJxejn3srL |
|---|---|
| Name | 3'',4''-BIS-(2-O-SULFYTE_ETHOXY)-7-(2-O-SULFATE_ETHOXY)-RUTIN |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O46S9 |
| InChI | InChI=1S/C33H42O46S9/c1-14-24(74-83(45,46)47)28(76-85(51,52)53)30(78-87(57,58)59)32(70-14)66-13-21-26(75-84(48,49)50)29(77-86(54,55)56)31(79-88(60,61)62)33(72-21)73-27-23(35)22-17(34)11-16(63-4-7-67-80(36,37)38)12-20(22)71-25(27)15-2-3-18(64-5-8-68-81(39,40)41)19(10-15)65-6-9-69-82(42,43)44/h2-3,10-12,14,21,24,26,28-34H,4-9,13H2,1H3,(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)(H,57,58,59)(H,60,61,62) |
| InChIKey | CKBRFRWMLGIIFN-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 | 1463.209 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ47114 |