![BIS-1,11-[2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-(6-TOSYL-3,9-DIOXA-6-AZA-UNDECANE)](/api/spectrum/JBSFGwttyS2/structure.png?h=300&w=458 "BIS-1,11-[2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-(6-TOSYL-3,9-DIOXA-6-AZA-UNDECANE)")
| SpectraBase Compound ID | IB7IZ5hRSOP |
|---|---|
| InChI | InChI=1S/C59H71N3O16S/c1-40-24-26-47(27-25-40)79(65,66)62(28-30-67-32-34-69-58-50(60-41(2)63)54(71-36-43-16-8-4-9-17-43)52-48(75-58)38-73-56(77-52)45-20-12-6-13-21-45)29-31-68-33-35-70-59-51(61-42(3)64)55(72-37-44-18-10-5-11-19-44)53-49(76-59)39-74-57(78-53)46-22-14-7-15-23-46/h4-27,48-59H,28-39H2,1-3H3,(H,60,63)(H,61,64)/t48-,49+,50-,51+,52-,53+,54-,55+,56?,57?,58-,59+ |
| InChIKey | DHGCJMBZIPEVBX-DQVNBGOYSA-N |
| Mol Weight | 1110.3 g/mol |
| Molecular Formula | C59H71N3O16S |
| Exact Mass | 1109.455504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBSFGwttyS2 |
|---|---|
| Name | BIS-1,11-[2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-(6-TOSYL-3,9-DIOXA-6-AZA-UNDECANE) |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H71N3O16S |
| InChI | InChI=1S/C59H71N3O16S/c1-40-24-26-47(27-25-40)79(65,66)62(28-30-67-32-34-69-58-50(60-41(2)63)54(71-36-43-16-8-4-9-17-43)52-48(75-58)38-73-56(77-52)45-20-12-6-13-21-45)29-31-68-33-35-70-59-51(61-42(3)64)55(72-37-44-18-10-5-11-19-44)53-49(76-59)39-74-57(78-53)46-22-14-7-15-23-46/h4-27,48-59H,28-39H2,1-3H3,(H,60,63)(H,61,64)/t48-,49+,50-,51+,52-,53+,54-,55+,56?,57?,58-,59+ |
| InChIKey | DHGCJMBZIPEVBX-DQVNBGOYSA-N |
| Literature Reference Author | R.G.LIO,J.THIEM |
| Literature Reference Citation | CARBOHYDR.RES.,317,180(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00073-7 |
| Molecular Weight | 1110.283 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ4754 |