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#22;O-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->6)-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY
SpectraBase Compound ID JkLzk9WEDwe
InChI InChI=1S/C48H64Cl3N5O25/c1-23(57)54-36-33(75-26(4)60)17-47(44(66)69-9,81-41(36)39(78-29(7)63)34(76-27(5)61)20-70-25(3)59)74-21-35-38(77-28(6)62)40(79-30(8)64)37(55-24(2)58)43(80-35)71-19-32(56-46(68)73-22-48(49,50)51)42(65)52-15-16-53-45(67)72-18-31-13-11-10-12-14-31/h10-14,32-41,43H,15-22H2,1-9H3,(H,52,65)(H,53,67)(H,54,57)(H,55,58)(H,56,68)/t32-,33+,34+,35-,36-,37-,38+,39-,40-,41-,43+,47-/m1/s1
InChIKey RHJBFHKULAMTFI-UKNIARJJSA-N
Mol Weight 1217.4 g/mol
Molecular Formula C48H64Cl3N5O25
Exact Mass 1215.295596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Fw6S2SVTim
Name #22;O-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->6)-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H64Cl3N5O25
InChI InChI=1S/C48H64Cl3N5O25/c1-23(57)54-36-33(75-26(4)60)17-47(44(66)69-9,81-41(36)39(78-29(7)63)34(76-27(5)61)20-70-25(3)59)74-21-35-38(77-28(6)62)40(79-30(8)64)37(55-24(2)58)43(80-35)71-19-32(56-46(68)73-22-48(49,50)51)42(65)52-15-16-53-45(67)72-18-31-13-11-10-12-14-31/h10-14,32-41,43H,15-22H2,1-9H3,(H,52,65)(H,53,67)(H,54,57)(H,55,58)(H,56,68)/t32-,33+,34+,35-,36-,37-,38+,39-,40-,41-,43+,47-/m1/s1
InChIKey RHJBFHKULAMTFI-UKNIARJJSA-N
Literature Reference Author K.MIYAJIMA,T.NEKADO,K.IKEDA,K.ACHIWA
Literature Reference Citation CHEM.PHARM.BULL.,46,1676(1998)
Literature Reference DOI 10.1248/cpb.46.1676
Molecular Weight 1217.414 g/mol
Solvent CDCl3
Source File Reference UWMS20777