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#13B;METHYL-[(3,4,6-TRI-O-ACETYL-2-N-PHTHALOYL-D-GLUCOSAMINYL)-BETA-(1->6)-2,3,4-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL]-BETA-(1->6)-2,3,4-TRI-O-ACETYL-BETA-D-GLU
SpectraBase Compound ID 50GOblVbirD
InChI InChI=1S/C75H73NO23/c1-45(77)86-42-57-61(92-46(2)78)63(93-47(3)79)59(76-68(80)54-37-23-24-38-55(54)69(76)81)73(94-57)90-44-58-62(97-70(82)51-31-17-8-18-32-51)65(98-71(83)52-33-19-9-20-34-52)67(99-72(84)53-35-21-10-22-36-53)75(96-58)91-43-56-60(87-39-48-25-11-5-12-26-48)64(88-40-49-27-13-6-14-28-49)66(74(85-4)95-56)89-41-50-29-15-7-16-30-50/h5-38,56-67,73-75H,39-44H2,1-4H3/t56-,57+,58-,59+,60-,61+,62-,63+,64+,65+,66-,67-,73+,74-,75-/m1/s1
InChIKey IJGMJXXEHZISOW-YPSPXGMNSA-N
Mol Weight 1356.4 g/mol
Molecular Formula C75H73NO23
Exact Mass 1355.457338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtKTn1AgXUG
Name #13B;METHYL-[(3,4,6-TRI-O-ACETYL-2-N-PHTHALOYL-D-GLUCOSAMINYL)-BETA-(1->6)-2,3,4-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL]-BETA-(1->6)-2,3,4-TRI-O-ACETYL-BETA-D-GLU
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H73NO23
InChI InChI=1S/C75H73NO23/c1-45(77)86-42-57-61(92-46(2)78)63(93-47(3)79)59(76-68(80)54-37-23-24-38-55(54)69(76)81)73(94-57)90-44-58-62(97-70(82)51-31-17-8-18-32-51)65(98-71(83)52-33-19-9-20-34-52)67(99-72(84)53-35-21-10-22-36-53)75(96-58)91-43-56-60(87-39-48-25-11-5-12-26-48)64(88-40-49-27-13-6-14-28-49)66(74(85-4)95-56)89-41-50-29-15-7-16-30-50/h5-38,56-67,73-75H,39-44H2,1-4H3/t56-,57+,58-,59+,60-,61+,62-,63+,64+,65+,66-,67-,73+,74-,75-/m1/s1
InChIKey IJGMJXXEHZISOW-YPSPXGMNSA-N
Literature Reference Author T.KAJIMOTO,K.ARMITSU,M.OZEKI,M.NODE
Literature Reference Citation CHEM.PHARM.BULL.,58,758(2010)
Literature Reference DOI 10.1248/cpb.58.758
Molecular Weight 1356.398 g/mol
Source File Reference UWBT4088