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methanesulfonic acid [(1R,2S,3R)-3-(benzyloxy)-1-(benzyloxymethyl)-5-methylsulfonyloxy-2-[(2S,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-pentyl] ester
SpectraBase Compound ID CLmlHh1fplK
InChI InChI=1S/C56H64O14S2/c1-71(57,58)67-34-33-49(63-37-45-25-13-5-14-26-45)52(51(70-72(2,59)60)42-62-36-44-23-11-4-12-24-44)69-56-55(66-40-48-31-19-8-20-32-48)54(65-39-47-29-17-7-18-30-47)53(64-38-46-27-15-6-16-28-46)50(68-56)41-61-35-43-21-9-3-10-22-43/h3-32,49-56H,33-42H2,1-2H3/t49-,50-,51-,52+,53-,54+,55-,56+/m1/s1
InChIKey PHMAHAVKPSFWKO-DCMGSSPYSA-N
Mol Weight 1025.2 g/mol
Molecular Formula C56H64O14S2
Exact Mass 1024.373749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Y2ZAE1WEem
Name methanesulfonic acid [(1R,2S,3R)-3-(benzyloxy)-1-(benzyloxymethyl)-5-methylsulfonyloxy-2-[(2S,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-pentyl] ester
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H64O14S2
InChI InChI=1S/C56H64O14S2/c1-71(57,58)67-34-33-49(63-37-45-25-13-5-14-26-45)52(51(70-72(2,59)60)42-62-36-44-23-11-4-12-24-44)69-56-55(66-40-48-31-19-8-20-32-48)54(65-39-47-29-17-7-18-30-47)53(64-38-46-27-15-6-16-28-46)50(68-56)41-61-35-43-21-9-3-10-22-43/h3-32,49-56H,33-42H2,1-2H3/t49-,50-,51-,52+,53-,54+,55-,56+/m1/s1
InChIKey PHMAHAVKPSFWKO-DCMGSSPYSA-N
Literature Reference Author P.PASSACANTILLI,C.CENTORE,E.CILIBERTI,F.LEONELLI,G.PIANCATEL LI
Literature Reference Citation EUR.J.ORG.CHEM.,3097(2006)
Molecular Weight 1025.236 g/mol
Sample ID 44109
Solvent CDCl3