![#6;PHENYL-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->3)-O-4,6-DI-O-ACETYL-1-THIO-BETA-D-GA](/api/spectrum/AaqwPRH8mw2/structure.png?h=300&w=458 "#6;PHENYL-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->3)-O-4,6-DI-O-ACETYL-1-THIO-BETA-D-GA")
| SpectraBase Compound ID | 5MShJ2gV9Se |
|---|---|
| InChI | InChI=1S/C36H47NO19S/c1-17(38)37-28-25(50-20(4)41)14-36(35(46)47-8,55-32(28)30(52-22(6)43)26(51-21(5)42)15-48-18(2)39)56-33-29(45)34(57-24-12-10-9-11-13-24)54-27(16-49-19(3)40)31(33)53-23(7)44/h9-13,25-34,45H,14-16H2,1-8H3,(H,37,38)/t25-,26-,27+,28+,29+,30+,31-,32+,33+,34-,36-/m0/s1 |
| InChIKey | VSIAGIRVLSFWMZ-KPRMWHLISA-N |
| Mol Weight | 829.8 g/mol |
| Molecular Formula | C36H47NO19S |
| Exact Mass | 829.246299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaqwPRH8mw2 |
|---|---|
| Name | #6;PHENYL-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->3)-O-4,6-DI-O-ACETYL-1-THIO-BETA-D-GA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H47NO19S |
| InChI | InChI=1S/C36H47NO19S/c1-17(38)37-28-25(50-20(4)41)14-36(35(46)47-8,55-32(28)30(52-22(6)43)26(51-21(5)42)15-48-18(2)39)56-33-29(45)34(57-24-12-10-9-11-13-24)54-27(16-49-19(3)40)31(33)53-23(7)44/h9-13,25-34,45H,14-16H2,1-8H3,(H,37,38)/t25-,26-,27+,28+,29+,30+,31-,32+,33+,34-,36-/m0/s1 |
| InChIKey | VSIAGIRVLSFWMZ-KPRMWHLISA-N |
| Literature Reference Author | S.MEHTA,M.GILBERT,W.W.WAKARCHUK,D.M.WHITFIELD |
| Literature Reference Citation | ORG.LETTERS,2,751(2000) |
| Literature Reference DOI | 10.1021/ol990406k |
| Molecular Weight | 829.824 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU33358 |