| SpectraBase Compound ID | Fzp2CB3wpFo |
|---|---|
| InChI | InChI=1S/C20H30N2O16.2C7H8O3S/c23-11(24)9-21-1-5-35-13(17(27)28)14(18(29)30)37-7-3-22(10-12(25)26)4-8-38-16(20(33)34)15(19(31)32)36-6-2-21;2*1-6-2-4-7(5-3-6)11(8,9)10/h13-16H,1-10H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34);2*2-5H,1H3,(H,8,9,10)/t13-,14-,15-,16-;;/m1../s1 |
| InChIKey | KBOZSQCFJRFXPS-HHFFVDSRSA-N |
| Mol Weight | 898.85 g/mol |
| Molecular Formula | C34H46N2O22S2 |
| Exact Mass | 898.198363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvCMaACJTpU |
|---|---|
| Name | (2R,3R,11R,12R)-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE-2,3,11,12-TETRACARBOXYLIC-ACID-N,N'-DIACETIC-ACID-BIS-(HYDROGENETOLUENESULFONATE) |
| Compound Number | 2.2A4D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46N2O22S2 |
| InChI | InChI=1S/C20H30N2O16.2C7H8O3S/c23-11(24)9-21-1-5-35-13(17(27)28)14(18(29)30)37-7-3-22(10-12(25)26)4-8-38-16(20(33)34)15(19(31)32)36-6-2-21;2*1-6-2-4-7(5-3-6)11(8,9)10/h13-16H,1-10H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34);2*2-5H,1H3,(H,8,9,10)/t13-,14-,15-,16-;;/m1../s1 |
| InChIKey | KBOZSQCFJRFXPS-HHFFVDSRSA-N |
| Literature Reference Author | A.ANANTANARZAN,T.M.FZLES |
| Literature Reference Citation | CAN.J.CHEM.,68,1338(1990) |
| Literature Reference DOI | 10.1139/v90-206 |
| Molecular Weight | 898.859 g/mol |
| Solvent | Unknown |
| Source File Reference | UWCS12338 |