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#18;OCTYL_2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->2)-3,4,6-TRI-O-BENZYL-2-DEOXY-2-THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPY
SpectraBase Compound ID 34yxYJ7a7UJ
InChI InChI=1S/C76H92O19S/c1-6-7-8-9-10-29-42-82-74-71(88-48-61-40-27-16-28-41-61)68(86-46-59-36-23-14-24-37-59)65(84-44-57-32-19-12-20-33-57)63(93-74)51-89-75-73(96-76-72(92-55(5)80)69(91-54(4)79)67(90-53(3)78)64(95-76)50-83-52(2)77)70(87-47-60-38-25-15-26-39-60)66(85-45-58-34-21-13-22-35-58)62(94-75)49-81-43-56-30-17-11-18-31-56/h11-28,30-41,62-76H,6-10,29,42-51H2,1-5H3/t62-,63-,64+,65-,66-,67+,68+,69-,70+,71-,72+,73+,74-,75+,76-/m0/s1
InChIKey ZYPIXPYJMCXCCR-ZRUPVIMJSA-N
Mol Weight 1341.6 g/mol
Molecular Formula C76H92O19S
Exact Mass 1340.595352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOXXvnio61d
Name #18;OCTYL_2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->2)-3,4,6-TRI-O-BENZYL-2-DEOXY-2-THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H92O19S
InChI InChI=1S/C76H92O19S/c1-6-7-8-9-10-29-42-82-74-71(88-48-61-40-27-16-28-41-61)68(86-46-59-36-23-14-24-37-59)65(84-44-57-32-19-12-20-33-57)63(93-74)51-89-75-73(96-76-72(92-55(5)80)69(91-54(4)79)67(90-53(3)78)64(95-76)50-83-52(2)77)70(87-47-60-38-25-15-26-39-60)66(85-45-58-34-21-13-22-35-58)62(94-75)49-81-43-56-30-17-11-18-31-56/h11-28,30-41,62-76H,6-10,29,42-51H2,1-5H3/t62-,63-,64+,65-,66-,67+,68+,69-,70+,71-,72+,73+,74-,75+,76-/m0/s1
InChIKey ZYPIXPYJMCXCCR-ZRUPVIMJSA-N
Literature Reference Author P.P.LU,O.HINDSGAUL,H.LI,M.M.PALCIC
Literature Reference Citation CAN.J.CHEM.,75,790(1997)
Literature Reference DOI 10.1139/v97-095
Molecular Weight 1341.615 g/mol
Solvent CDCl3
Source File Reference UWMZ965