SpectraBase Compound ID | AYwG0Wfk33t |
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InChI | InChI=1S/C48H80N10O25/c1-23(63)49-33-39(69)37(67)29(17-59)78-47(33)82-43-31(19-61)80-45(35(41(43)71)51-25(3)65)76-21-27-15-57(55-53-27)7-5-9-73-11-13-75-14-12-74-10-6-8-58-16-28(54-56-58)22-77-46-36(52-26(4)66)42(72)44(32(20-62)81-46)83-48-34(50-24(2)64)40(70)38(68)30(18-60)79-48/h15-16,29-48,59-62,67-72H,5-14,17-22H2,1-4H3,(H,49,63)(H,50,64)(H,51,65)(H,52,66)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+/m1/s1 |
InChIKey | NDWQOHUUDIEKQY-MRARRXCMSA-N |
Mol Weight | 1197.2 g/mol |
Molecular Formula | C48H80N10O25 |
Exact Mass | 1196.529608 g/mol |
SpectraBase Spectrum ID | 7M9wb82Dfsa |
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Name | #C5;1,13-BIS-[4-[2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1H-1,2,3-TRIAZOLE-1-YL]-4,7,10-TRI |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C48H80N10O25 |
InChI | InChI=1S/C48H80N10O25/c1-23(63)49-33-39(69)37(67)29(17-59)78-47(33)82-43-31(19-61)80-45(35(41(43)71)51-25(3)65)76-21-27-15-57(55-53-27)7-5-9-73-11-13-75-14-12-74-10-6-8-58-16-28(54-56-58)22-77-46-36(52-26(4)66)42(72)44(32(20-62)81-46)83-48-34(50-24(2)64)40(70)38(68)30(18-60)79-48/h15-16,29-48,59-62,67-72H,5-14,17-22H2,1-4H3,(H,49,63)(H,50,64)(H,51,65)(H,52,66)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+/m1/s1 |
InChIKey | NDWQOHUUDIEKQY-MRARRXCMSA-N |
Literature Reference Author | H.S.G.BECKMANN,H.M.MOELLER,V.WITTMANN |
Literature Reference Citation | BEIL.J.ORG.CHEM.,8,819(2012) |
Literature Reference DOI | 10.3762/bjoc.8.91 |
Molecular Weight | 1197.215 g/mol |
Solvent | D2O:CD3OD=9:1 |
Source File Reference | UWIR10913 |