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3,4,6-TRI-O-ACETYL-2-N-PHTHALOYL-BETA-(1->6)-D-GLUCOSAMINYL-2,3,4-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-PARA-OCTYLOXYPHENYL-SULFOXIDE
SpectraBase Compound ID 5t1ZvRL6rD6
InChI InChI=1S/C61H63NO19S/c1-5-6-7-8-9-21-34-72-43-30-32-44(33-31-43)82(71)61-54(81-59(70)42-26-17-12-18-27-42)53(80-58(69)41-24-15-11-16-25-41)51(79-57(68)40-22-13-10-14-23-40)48(78-61)36-74-60-49(62-55(66)45-28-19-20-29-46(45)56(62)67)52(76-39(4)65)50(75-38(3)64)47(77-60)35-73-37(2)63/h10-20,22-33,47-54,60-61H,5-9,21,34-36H2,1-4H3/t47-,48+,49-,50-,51+,52-,53-,54+,60-,61-,82?/m0/s1
InChIKey QJPKOTHJACJIJR-OCAMOOFQSA-N
Mol Weight 1146.2 g/mol
Molecular Formula C61H63NO19S
Exact Mass 1145.3715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWuoY72DxFo
Name 3,4,6-TRI-O-ACETYL-2-N-PHTHALOYL-BETA-(1->6)-D-GLUCOSAMINYL-2,3,4-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-PARA-OCTYLOXYPHENYL-SULFOXIDE
Compound Number 6C'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H63NO19S
InChI InChI=1S/C61H63NO19S/c1-5-6-7-8-9-21-34-72-43-30-32-44(33-31-43)82(71)61-54(81-59(70)42-26-17-12-18-27-42)53(80-58(69)41-24-15-11-16-25-41)51(79-57(68)40-22-13-10-14-23-40)48(78-61)36-74-60-49(62-55(66)45-28-19-20-29-46(45)56(62)67)52(76-39(4)65)50(75-38(3)64)47(77-60)35-73-37(2)63/h10-20,22-33,47-54,60-61H,5-9,21,34-36H2,1-4H3/t47-,48+,49-,50-,51+,52-,53-,54+,60-,61-,82?/m0/s1
InChIKey QJPKOTHJACJIJR-OCAMOOFQSA-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 1146.227 g/mol
Source File Reference UWBT4079