| SpectraBase Compound ID | 8XCcBRn0hR3 |
|---|---|
| InChI | InChI=1S/C72H78N2O12/c75-41-42-77-53-64-66(79-48-58-31-15-4-16-32-58)68(81-50-60-35-19-6-20-36-60)69(82-51-61-37-21-7-22-38-61)71(84-64)86-72(54-78-47-57-29-13-3-14-30-57)70(83-52-62-39-23-8-24-40-62)67(80-49-59-33-17-5-18-34-59)63(85-72)45-74(44-56-27-11-2-12-28-56)46-65(76)73-43-55-25-9-1-10-26-55/h1-40,63-64,66-71,75H,41-54H2,(H,73,76)/t63-,64-,66-,67-,68+,69-,70+,71-,72+/m0/s1 |
| InChIKey | QIRITZDSDQHYJV-DYODJVGYSA-N |
| Mol Weight | 1163.4 g/mol |
| Molecular Formula | C72H78N2O12 |
| Exact Mass | 1162.555476 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4AzbsSP4w5 |
|---|---|
| Name | N-(2-BENZYLAMINO)-2-OXOETHYL)-N-BENZYL-6'-AMINO-6'-DEOXY-1',2,3,3',4,4'-HEXA-O-BENZYL-6-O-(2-HYDROXYETHYL)-SUCROSE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H78N2O12 |
| InChI | InChI=1S/C72H78N2O12/c75-41-42-77-53-64-66(79-48-58-31-15-4-16-32-58)68(81-50-60-35-19-6-20-36-60)69(82-51-61-37-21-7-22-38-61)71(84-64)86-72(54-78-47-57-29-13-3-14-30-57)70(83-52-62-39-23-8-24-40-62)67(80-49-59-33-17-5-18-34-59)63(85-72)45-74(44-56-27-11-2-12-28-56)46-65(76)73-43-55-25-9-1-10-26-55/h1-40,63-64,66-71,75H,41-54H2,(H,73,76)/t63-,64-,66-,67-,68+,69-,70+,71-,72+/m0/s1 |
| InChIKey | QIRITZDSDQHYJV-DYODJVGYSA-N |
| Literature Reference Author | M.A.POTOPNYL,S.JAROSZ |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,5117(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300427 |
| Molecular Weight | 1163.418 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT18916 |