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OCTYL_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-GLUCOPYRANOSIDE
SpectraBase Compound ID Celxpugo5YM
InChI InChI=1S/C68H84O15S/c1-2-3-4-5-6-25-38-74-66-64(79-45-53-36-23-12-24-37-53)62(77-43-51-32-19-10-20-33-51)60(75-41-49-28-15-8-16-29-49)56(81-66)47-80-67-65(84-68-59(72)58(71)57(70)54(39-69)83-68)63(78-44-52-34-21-11-22-35-52)61(76-42-50-30-17-9-18-31-50)55(82-67)46-73-40-48-26-13-7-14-27-48/h7-24,26-37,54-72H,2-6,25,38-47H2,1H3/t54-,55-,56+,57-,58+,59-,60+,61-,62-,63+,64+,65+,66+,67+,68+/m0/s1
InChIKey ZXNYEQMZIZIDKO-CDHMBTCJSA-N
Mol Weight 1173.5 g/mol
Molecular Formula C68H84O15S
Exact Mass 1172.553093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UYKJj0tGpd
Name OCTYL_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-GLUCOPYRANOSIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H84O15S
InChI InChI=1S/C68H84O15S/c1-2-3-4-5-6-25-38-74-66-64(79-45-53-36-23-12-24-37-53)62(77-43-51-32-19-10-20-33-51)60(75-41-49-28-15-8-16-29-49)56(81-66)47-80-67-65(84-68-59(72)58(71)57(70)54(39-69)83-68)63(78-44-52-34-21-11-22-35-52)61(76-42-50-30-17-9-18-31-50)55(82-67)46-73-40-48-26-13-7-14-27-48/h7-24,26-37,54-72H,2-6,25,38-47H2,1H3/t54-,55-,56+,57-,58+,59-,60+,61-,62-,63+,64+,65+,66+,67+,68+/m0/s1
InChIKey ZXNYEQMZIZIDKO-CDHMBTCJSA-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 1173.466 g/mol
Solvent CDCl3
Source File Reference UWMZ966