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PHENYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Fdy6gNrfm7M
InChI InChI=1S/C73H64O22S/c74-55-52(89-73(57(76)56(55)75)96-51-39-23-8-24-40-51)41-85-71-62(94-69(82)49-35-19-6-20-36-49)61(93-68(81)48-33-17-5-18-34-48)59(91-66(79)46-29-13-3-14-30-46)54(88-71)43-86-72-63(95-70(83)50-37-21-7-22-38-50)60(92-67(80)47-31-15-4-16-32-47)58(90-65(78)45-27-11-2-12-28-45)53(87-72)42-84-64(77)44-25-9-1-10-26-44/h1-40,52-63,71-76H,41-43H2/t52-,53-,54+,55-,56+,57-,58-,59+,60+,61-,62+,63-,71+,72-,73+/m1/s1
InChIKey JVVNGRCDSYHXIE-GFQPJWRWSA-N
Mol Weight 1325.4 g/mol
Molecular Formula C73H64O22S
Exact Mass 1324.360995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfsxYPMI1Iz
Name PHENYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C73H64O22S
InChI InChI=1S/C73H64O22S/c74-55-52(89-73(57(76)56(55)75)96-51-39-23-8-24-40-51)41-85-71-62(94-69(82)49-35-19-6-20-36-49)61(93-68(81)48-33-17-5-18-34-48)59(91-66(79)46-29-13-3-14-30-46)54(88-71)43-86-72-63(95-70(83)50-37-21-7-22-38-50)60(92-67(80)47-31-15-4-16-32-47)58(90-65(78)45-27-11-2-12-28-45)53(87-72)42-84-64(77)44-25-9-1-10-26-44/h1-40,52-63,71-76H,41-43H2/t52-,53-,54+,55-,56+,57-,58-,59+,60+,61-,62+,63-,71+,72-,73+/m1/s1
InChIKey JVVNGRCDSYHXIE-GFQPJWRWSA-N
Literature Reference Author A.MAGGI,R.MADSEN
Literature Reference Citation EUR.J.ORG.CHEM.,2013,2683(2013)
Literature Reference DOI 10.1002/ejoc.201300026
Molecular Weight 1325.358 g/mol
Solvent CDCl3
Source File Reference UWBT18533