![#12;BENZYL-[2-O-BENZOYL-3-O-BENZYL-4-O-(4,6-O-BENZYLIDENE-2-DEOXY-3-O-LEVULINOYL-2-TETRACHLOROPHTHALIMIDO-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSE]-URONA](/api/spectrum/RUtLOv9Bkc/structure.png?h=300&w=458 "#12;BENZYL-[2-O-BENZOYL-3-O-BENZYL-4-O-(4,6-O-BENZYLIDENE-2-DEOXY-3-O-LEVULINOYL-2-TETRACHLOROPHTHALIMIDO-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSE]-URONA")
| SpectraBase Compound ID | 5ZsIpwsj63t |
|---|---|
| InChI | InChI=1S/C53H47Cl4NO17/c1-27(59)22-23-33(60)71-42-40(58-47(61)34-35(48(62)63)37(55)39(57)38(56)36(34)54)53(70-32-26-69-52(74-41(32)42)31-20-12-5-13-21-31)75-44-43(67-24-28-14-6-2-7-15-28)45(72-49(64)30-18-10-4-11-19-30)51(66)73-46(44)50(65)68-25-29-16-8-3-9-17-29/h2-21,32,40-46,51-53,66H,22-26H2,1H3,(H,58,61)(H,62,63)/t32-,40-,41+,42-,43+,44+,45-,46+,51-,52-,53+/m1/s1 |
| InChIKey | QEJHKCLSRWEBKB-AZNQLYOMSA-N |
| Mol Weight | 1111.8 g/mol |
| Molecular Formula | C53H47Cl4NO17 |
| Exact Mass | 1109.15981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RUtLOv9Bkc |
|---|---|
| Name | #12;BENZYL-[2-O-BENZOYL-3-O-BENZYL-4-O-(4,6-O-BENZYLIDENE-2-DEOXY-3-O-LEVULINOYL-2-TETRACHLOROPHTHALIMIDO-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSE]-URONA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H47Cl4NO17 |
| InChI | InChI=1S/C53H47Cl4NO17/c1-27(59)22-23-33(60)71-42-40(58-47(61)34-35(48(62)63)37(55)39(57)38(56)36(34)54)53(70-32-26-69-52(74-41(32)42)31-20-12-5-13-21-31)75-44-43(67-24-28-14-6-2-7-15-28)45(72-49(64)30-18-10-4-11-19-30)51(66)73-46(44)50(65)68-25-29-16-8-3-9-17-29/h2-21,32,40-46,51-53,66H,22-26H2,1H3,(H,58,61)(H,62,63)/t32-,40-,41+,42-,43+,44+,45-,46+,51-,52-,53+/m1/s1 |
| InChIKey | QEJHKCLSRWEBKB-AZNQLYOMSA-N |
| Literature Reference Author | G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3868(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402222 |
| Molecular Weight | 1111.765 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU85320 |