![#7;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-2,4,6-TRI-O-ACETYL-1-THIO-BETA-D](/api/spectrum/EhMLTewHrT2/structure.png?h=300&w=458 "#7;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-2,4,6-TRI-O-ACETYL-1-THIO-BETA-D")
| SpectraBase Compound ID | GrHIGBq30B8 |
|---|---|
| InChI | InChI=1S/C38H49NO20S/c1-18(40)39-30-27(52-21(4)43)15-38(37(48)49-9,58-33(30)31(54-23(6)45)28(53-22(5)44)16-50-19(2)41)59-34-32(55-24(7)46)29(17-51-20(3)42)57-36(35(34)56-25(8)47)60-26-13-11-10-12-14-26/h10-14,27-36H,15-17H2,1-9H3,(H,39,40)/t27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,38-/m0/s1 |
| InChIKey | OPYIHCLIEVDOHJ-QUXOQFLOSA-N |
| Mol Weight | 871.9 g/mol |
| Molecular Formula | C38H49NO20S |
| Exact Mass | 871.256864 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhMLTewHrT2 |
|---|---|
| Name | #7;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-2,4,6-TRI-O-ACETYL-1-THIO-BETA-D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H49NO20S |
| InChI | InChI=1S/C38H49NO20S/c1-18(40)39-30-27(52-21(4)43)15-38(37(48)49-9,58-33(30)31(54-23(6)45)28(53-22(5)44)16-50-19(2)41)59-34-32(55-24(7)46)29(17-51-20(3)42)57-36(35(34)56-25(8)47)60-26-13-11-10-12-14-26/h10-14,27-36H,15-17H2,1-9H3,(H,39,40)/t27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,38-/m0/s1 |
| InChIKey | OPYIHCLIEVDOHJ-QUXOQFLOSA-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 | 871.862 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU33359 |