| SpectraBase Compound ID | 9QTusrJjEpb |
|---|---|
| InChI | InChI=1S/C76H70N6O19/c1-89-50-35-37-51(38-36-50)91-43-57-63(65(92-40-46-23-9-3-10-24-46)59(68(95-57)79-80-77)81-69(84)52-31-17-18-32-53(52)70(81)85)99-74-60(82-71(86)54-33-19-20-34-55(54)72(82)87)66(93-41-47-25-11-4-12-26-47)62(56(96-74)42-90-39-45-21-7-2-8-22-45)100-75-61(83)67(101-76(88)78-49-29-15-6-16-30-49)64-58(97-75)44-94-73(98-64)48-27-13-5-14-28-48/h2-38,56-68,73-75,83H,39-44H2,1H3,(H,78,88)/t56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,73-,74+,75+/m0/s1 |
| InChIKey | YWFDVLHFCOAPSQ-PVQKTAFCSA-N |
| Mol Weight | 1371.4 g/mol |
| Molecular Formula | C76H70N6O19 |
| Exact Mass | 1370.469574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K1MWT0LkV52 |
|---|---|
| Name | #14F;4,6-O-BENZYLIDENE-3-(PHENYLCARBAMOYL)-BETA-D-MANNOPYRANOSYL-(1->4)-3,6-DI-O-BENZYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSYL-(1->4)-3-O-BENZYL-2-DEOXY-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H70N6O19 |
| InChI | InChI=1S/C76H70N6O19/c1-89-50-35-37-51(38-36-50)91-43-57-63(65(92-40-46-23-9-3-10-24-46)59(68(95-57)79-80-77)81-69(84)52-31-17-18-32-53(52)70(81)85)99-74-60(82-71(86)54-33-19-20-34-55(54)72(82)87)66(93-41-47-25-11-4-12-26-47)62(56(96-74)42-90-39-45-21-7-2-8-22-45)100-75-61(83)67(101-76(88)78-49-29-15-6-16-30-49)64-58(97-75)44-94-73(98-64)48-27-13-5-14-28-48/h2-38,56-68,73-75,83H,39-44H2,1H3,(H,78,88)/t56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,73-,74+,75+/m0/s1 |
| InChIKey | YWFDVLHFCOAPSQ-PVQKTAFCSA-N |
| Literature Reference Author | D.OTT,J.SEIFERT,I.PRAHL,M.NIEMIETZ,J.HOFFMAN,J.GUDER,M.MOENN ICH,C.UNVERZAGT |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2012,5054(2012) |
| Literature Reference DOI | 10.1002/ejoc.201200468 |
| Molecular Weight | 1371.421 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU84147 |