| SpectraBase Compound ID | 95RYbfXtZ6m |
|---|---|
| InChI | InChI=1S/C51H45NO15S/c1-2-68-50-43-42(66-51(58)67-43)40(36(62-50)28-59-27-30-17-7-3-8-18-30)65-49-38(52-44(53)34-25-15-16-26-35(34)45(52)54)41(64-48(57)33-23-13-6-14-24-33)39(63-47(56)32-21-11-5-12-22-32)37(61-49)29-60-46(55)31-19-9-4-10-20-31/h3-26,36-43,49-50H,2,27-29H2,1H3/t36-,37+,38+,39+,40-,41+,42+,43-,49-,50+/m0/s1 |
| InChIKey | WXIWRADZNKGRQV-FAASZTALSA-N |
| Mol Weight | 944.0 g/mol |
| Molecular Formula | C51H45NO15S |
| Exact Mass | 943.250991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1fF4Of7lC2 |
|---|---|
| Name | ETHYL-6-O-BENZYL-2,3-O-CARBONATE-4-O-(3,4,6-TRI-O-BENZOYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H45NO15S |
| InChI | InChI=1S/C51H45NO15S/c1-2-68-50-43-42(66-51(58)67-43)40(36(62-50)28-59-27-30-17-7-3-8-18-30)65-49-38(52-44(53)34-25-15-16-26-35(34)45(52)54)41(64-48(57)33-23-13-6-14-24-33)39(63-47(56)32-21-11-5-12-22-32)37(61-49)29-60-46(55)31-19-9-4-10-20-31/h3-26,36-43,49-50H,2,27-29H2,1H3/t36-,37+,38+,39+,40-,41+,42+,43-,49-,50+/m0/s1 |
| InChIKey | WXIWRADZNKGRQV-FAASZTALSA-N |
| Literature Reference Author | T.ZHU,G.J.BOONS |
| Literature Reference Citation | ORG.LETTERS,3,4201(2001) |
| Literature Reference DOI | 10.1021/ol016869j |
| Molecular Weight | 943.976 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU34008 |