| SpectraBase Compound ID | BOi96rhBJgC |
|---|---|
| InChI | InChI=1S/C51H65Cl3N2O28S/c1-22(57)55-37-33(74-26(5)61)17-50(48(67)69-11,83-43(37)40(76-28(7)63)34(75-27(6)62)18-70-23(2)58)84-44-41(77-29(8)64)35(19-71-24(3)59)80-46(45(44)79-31(10)66)82-39-36(20-72-25(4)60)81-47(85-32-15-13-12-14-16-32)38(42(39)78-30(9)65)56-49(68)73-21-51(52,53)54/h12-16,33-47H,17-21H2,1-11H3,(H,55,57)(H,56,68)/t33-,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-,46+,47+,50-/m0/s1 |
| InChIKey | ZEKXRKXAWWVCDJ-VKLUVRBKSA-N |
| Mol Weight | 1292.5 g/mol |
| Molecular Formula | C51H65Cl3N2O28S |
| Exact Mass | 1290.251014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEXsNktgHa |
|---|---|
| Name | #2B;PHENYL-O-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLONATE)-(2->3)-O-(2,4,6-TRI-O-ACETYL-BETA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H65Cl3N2O28S |
| InChI | InChI=1S/C51H65Cl3N2O28S/c1-22(57)55-37-33(74-26(5)61)17-50(48(67)69-11,83-43(37)40(76-28(7)63)34(75-27(6)62)18-70-23(2)58)84-44-41(77-29(8)64)35(19-71-24(3)59)80-46(45(44)79-31(10)66)82-39-36(20-72-25(4)60)81-47(85-32-15-13-12-14-16-32)38(42(39)78-30(9)65)56-49(68)73-21-51(52,53)54/h12-16,33-47H,17-21H2,1-11H3,(H,55,57)(H,56,68)/t33-,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-,46+,47+,50-/m0/s1 |
| InChIKey | ZEKXRKXAWWVCDJ-VKLUVRBKSA-N |
| Literature Reference Author | F.YAN,S.MEHTA,E.EICHLER,W.W.WAKARCHUK,M.GILBERT,M.J.SCHUR,D. M.WHITFIELD |
| Literature Reference Citation | J.ORG.CHEM.,68,2426(2003) |
| Literature Reference DOI | 10.1021/jo026569v |
| Molecular Weight | 1292.493 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25259 |