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#13A;BETA-ISOMER;METHYL-[(3,4,6-TRI-O-ACETYL-2-N-PHTHALOYL-D-GLUCOSAMINYL)-BETA-(1->6)-2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL]-BETA-(1->6)-2,3,4-TRI-O-ACETYL
SpectraBase Compound ID J80zzFGAa5W
InChI InChI=1S/C75H79NO20/c1-48(77)83-45-61-65(92-49(2)78)66(93-50(3)79)62(76-71(80)57-37-23-24-38-58(57)72(76)81)73(94-61)90-46-60-64(85-40-52-27-13-6-14-28-52)68(87-42-54-31-17-8-18-32-54)70(89-44-56-35-21-10-22-36-56)75(96-60)91-47-59-63(84-39-51-25-11-5-12-26-51)67(86-41-53-29-15-7-16-30-53)69(74(82-4)95-59)88-43-55-33-19-9-20-34-55/h5-38,59-70,73-75H,39-47H2,1-4H3/t59-,60-,61+,62+,63-,64-,65+,66+,67+,68+,69-,70-,73+,74-,75-/m1/s1
InChIKey YTAYEOASFGUDLL-CKKMCWSDSA-N
Mol Weight 1314.4 g/mol
Molecular Formula C75H79NO20
Exact Mass 1313.519544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VBMUCj24io
Name #13A;BETA-ISOMER;METHYL-[(3,4,6-TRI-O-ACETYL-2-N-PHTHALOYL-D-GLUCOSAMINYL)-BETA-(1->6)-2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL]-BETA-(1->6)-2,3,4-TRI-O-ACETYL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H79NO20
InChI InChI=1S/C75H79NO20/c1-48(77)83-45-61-65(92-49(2)78)66(93-50(3)79)62(76-71(80)57-37-23-24-38-58(57)72(76)81)73(94-61)90-46-60-64(85-40-52-27-13-6-14-28-52)68(87-42-54-31-17-8-18-32-54)70(89-44-56-35-21-10-22-36-56)75(96-60)91-47-59-63(84-39-51-25-11-5-12-26-51)67(86-41-53-29-15-7-16-30-53)69(74(82-4)95-59)88-43-55-33-19-9-20-34-55/h5-38,59-70,73-75H,39-47H2,1-4H3/t59-,60-,61+,62+,63-,64-,65+,66+,67+,68+,69-,70-,73+,74-,75-/m1/s1
InChIKey YTAYEOASFGUDLL-CKKMCWSDSA-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 1314.447 g/mol
Source File Reference UWBT4086