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Methyl-2,3,4-tri-O-benzyl-6-O-(3,4,6-tri-O-benzyl-2-O-(methylsulfonyl).beta.-D-mannopyranosyl).alpha.-D-mannopyranoside
SpectraBase Compound ID IssKzTL6wK5
InChI InChI=1S/C56H62O13S/c1-59-55-53(65-38-46-31-19-8-20-32-46)51(63-36-44-27-15-6-16-28-44)50(62-35-43-25-13-5-14-26-43)48(67-55)40-66-56-54(69-70(2,57)58)52(64-37-45-29-17-7-18-30-45)49(61-34-42-23-11-4-12-24-42)47(68-56)39-60-33-41-21-9-3-10-22-41/h3-32,47-56H,33-40H2,1-2H3/t47-,48+,49-,50+,51-,52+,53-,54+,55-,56-/m0/s1
InChIKey HYCODWNOOGTHAW-CSRMPDIWSA-N
Mol Weight 975.2 g/mol
Molecular Formula C56H62O13S
Exact Mass 974.391113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73qr8ijIKJt
Name METHYL-2,3,4-TRI-O-BENZYL-6-O-(3,4,6-TRI-O-BENZYL-2-O-(METHYLSULFONYL)-BETA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE
CAS Registry Number 76281-97-5
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H62O13S
InChI InChI=1S/C56H62O13S/c1-59-55-53(65-38-46-31-19-8-20-32-46)51(63-36-44-27-15-6-16-28-44)50(62-35-43-25-13-5-14-26-43)48(67-55)40-66-56-54(69-70(2,57)58)52(64-37-45-29-17-7-18-30-45)49(61-34-42-23-11-4-12-24-42)47(68-56)39-60-33-41-21-9-3-10-22-41/h3-32,47-56H,33-40H2,1-2H3/t47-,48+,49-,50+,51-,52+,53-,54+,55-,56-/m0/s1
InChIKey HYCODWNOOGTHAW-CSRMPDIWSA-N
Literature Reference Author V.K.SRIVASTAVA,C.SCHUERCH
Literature Reference Citation J.ORG.CHEM.,46,1121(1981)
Literature Reference DOI 10.1021/jo00319a016
Molecular Weight 975.160 g/mol
Solvent CDCl3
Source File Reference UNIW22605