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PHENYL-2,3,4-TRI-O-BENZOYL-6-O-9-FLUORENYLMETHYLOXYCARBOXYL-BETA-D-GLUCOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 3QxfsqLKUSi
InChI InChI=1S/C75H60O18S/c76-67(47-26-8-1-9-27-47)88-61-59(46-85-75(82)84-44-58-56-42-24-22-40-54(56)55-41-23-25-43-57(55)58)86-73(65(92-71(80)51-34-16-5-17-35-51)63(61)90-69(78)49-30-12-3-13-31-49)83-45-60-62(89-68(77)48-28-10-2-11-29-48)64(91-70(79)50-32-14-4-15-33-50)66(93-72(81)52-36-18-6-19-37-52)74(87-60)94-53-38-20-7-21-39-53/h1-43,58-66,73-74H,44-46H2/t59-,60+,61-,62+,63+,64-,65-,66+,73-,74-/m1/s1
InChIKey VQKHTCNYDZXRPE-LNUWTAHDSA-N
Mol Weight 1281.3 g/mol
Molecular Formula C75H60O18S
Exact Mass 1280.350036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JvoBjjJmv1
Name PHENYL-2,3,4-TRI-O-BENZOYL-6-O-9-FLUORENYLMETHYLOXYCARBOXYL-BETA-D-GLUCOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H60O18S
InChI InChI=1S/C75H60O18S/c76-67(47-26-8-1-9-27-47)88-61-59(46-85-75(82)84-44-58-56-42-24-22-40-54(56)55-41-23-25-43-57(55)58)86-73(65(92-71(80)51-34-16-5-17-35-51)63(61)90-69(78)49-30-12-3-13-31-49)83-45-60-62(89-68(77)48-28-10-2-11-29-48)64(91-70(79)50-32-14-4-15-33-50)66(93-72(81)52-36-18-6-19-37-52)74(87-60)94-53-38-20-7-21-39-53/h1-43,58-66,73-74H,44-46H2/t59-,60+,61-,62+,63+,64-,65-,66+,73-,74-/m1/s1
InChIKey VQKHTCNYDZXRPE-LNUWTAHDSA-N
Literature Reference Author K.KAWA,T.SAITOH,E.KAJI,S.NISHIYAMA
Literature Reference Citation MOLECULES,19,2602(2014)
Literature Reference DOI 10.3390/molecules19022602
Molecular Weight 1281.351 g/mol
Solvent CDCl3
Source File Reference UWBT14719