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OCTYL-2-O-BENZYL-4,6-O-BENZYLIDENE-BETA-D-MANNOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID HBJWJsa6Rp9
InChI InChI=1S/C55H66O11/c1-2-3-4-5-6-22-33-58-54-52(61-37-43-29-18-10-19-30-43)51(60-36-42-27-16-9-17-28-42)49(45(63-54)38-57-34-40-23-12-7-13-24-40)66-55-50(59-35-41-25-14-8-15-26-41)47(56)48-46(64-55)39-62-53(65-48)44-31-20-11-21-32-44/h7-21,23-32,45-56H,2-6,22,33-39H2,1H3/t45-,46-,47+,48-,49-,50+,51+,52-,53-,54-,55+/m1/s1
InChIKey KBEMPCWUSSGLDD-SLVPIAOHSA-N
Mol Weight 903.1 g/mol
Molecular Formula C55H66O11
Exact Mass 902.460513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XjLnBZfTW5
Name OCTYL-2-O-BENZYL-4,6-O-BENZYLIDENE-BETA-D-MANNOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H66O11
InChI InChI=1S/C55H66O11/c1-2-3-4-5-6-22-33-58-54-52(61-37-43-29-18-10-19-30-43)51(60-36-42-27-16-9-17-28-42)49(45(63-54)38-57-34-40-23-12-7-13-24-40)66-55-50(59-35-41-25-14-8-15-26-41)47(56)48-46(64-55)39-62-53(65-48)44-31-20-11-21-32-44/h7-21,23-32,45-56H,2-6,22,33-39H2,1H3/t45-,46-,47+,48-,49-,50+,51+,52-,53-,54-,55+/m1/s1
InChIKey KBEMPCWUSSGLDD-SLVPIAOHSA-N
Literature Reference Author I.OHTSUKA,N.HADA,H.OHTAKA,M.SUGITA,T.TAKEDA
Literature Reference Citation CHEM.PHARM.BULL.,50,600(2002)
Literature Reference DOI 10.1248/cpb.50.600
Molecular Weight 903.122 g/mol
Solvent CDCl3
Source File Reference UWVN8135