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METHYL-2,4-DI-O-BENZOYL-6-O-CHLOROACETYL-BETA-D-GALACYOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID JmvZZKCZgxb
InChI InChI=1S/C50H45ClO17/c1-59-49-43(67-48(58)34-25-15-6-16-26-34)42(66-47(57)33-23-13-5-14-24-33)40(36(62-49)29-61-44(54)30-17-7-2-8-18-30)68-50-41(65-46(56)32-21-11-4-12-22-32)38(53)39(35(63-50)28-60-37(52)27-51)64-45(55)31-19-9-3-10-20-31/h2-26,35-36,38-43,49-50,53H,27-29H2,1H3/t35-,36-,38+,39+,40-,41-,42+,43+,49+,50+/m1/s1
InChIKey PWCVTVHUFRFWJT-KIPYACSMSA-N
Mol Weight 953.3 g/mol
Molecular Formula C50H45ClO17
Exact Mass 952.234528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTrEdYQSPCv
Name METHYL-2,4-DI-O-BENZOYL-6-O-CHLOROACETYL-BETA-D-GALACYOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-ALPHA-D-MANNOPYRANOSIDE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H45ClO17
InChI InChI=1S/C50H45ClO17/c1-59-49-43(67-48(58)34-25-15-6-16-26-34)42(66-47(57)33-23-13-5-14-24-33)40(36(62-49)29-61-44(54)30-17-7-2-8-18-30)68-50-41(65-46(56)32-21-11-4-12-22-32)38(53)39(35(63-50)28-60-37(52)27-51)64-45(55)31-19-9-3-10-20-31/h2-26,35-36,38-43,49-50,53H,27-29H2,1H3/t35-,36-,38+,39+,40-,41-,42+,43+,49+,50+/m1/s1
InChIKey PWCVTVHUFRFWJT-KIPYACSMSA-N
Literature Reference Author A.V.NIKOLAEV,G.M.WATT,M.A.J.FERGUSON,J.S.BRIMACOMBE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,969(1997)
Literature Reference DOI 10.1039/a603800j
Molecular Weight 953.350 g/mol
Solvent CDCl3
Source File Reference UWRU9783