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METHYL-5-O-(2,3-DI-O-BENZOYL-5-O-CHLOROACETYL-6-O-PIVALOYL-BETA-D-GALACTOFURANOSYL)-2,3-DI-O-BENZOYL-6-O-PIVALOYL-BETA-D-GALACTOFURANOSIDE
SpectraBase Compound ID CB1yHZYFBRY
InChI InChI=1S/C53H57ClO18/c1-52(2,3)50(60)63-29-35(65-37(55)28-54)38-41(68-45(57)32-22-14-9-15-23-32)43(70-47(59)34-26-18-11-19-27-34)49(72-38)66-36(30-64-51(61)53(4,5)6)39-40(67-44(56)31-20-12-8-13-21-31)42(48(62-7)71-39)69-46(58)33-24-16-10-17-25-33/h8-27,35-36,38-43,48-49H,28-30H2,1-7H3/t35?,36?,38-,39+,40+,41-,42-,43+,48-,49+/m1/s1
InChIKey QPXQSRSMLGEOBV-USGABKDYSA-N
Mol Weight 1017.5 g/mol
Molecular Formula C53H57ClO18
Exact Mass 1016.323343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aaa3Xi0U1Q7
Name METHYL-5-O-(2,3-DI-O-BENZOYL-5-O-CHLOROACETYL-6-O-PIVALOYL-BETA-D-GALACTOFURANOSYL)-2,3-DI-O-BENZOYL-6-O-PIVALOYL-BETA-D-GALACTOFURANOSIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H57ClO18
InChI InChI=1S/C53H57ClO18/c1-52(2,3)50(60)63-29-35(65-37(55)28-54)38-41(68-45(57)32-22-14-9-15-23-32)43(70-47(59)34-26-18-11-19-27-34)49(72-38)66-36(30-64-51(61)53(4,5)6)39-40(67-44(56)31-20-12-8-13-21-31)42(48(62-7)71-39)69-46(58)33-24-16-10-17-25-33/h8-27,35-36,38-43,48-49H,28-30H2,1-7H3/t35?,36?,38-,39+,40+,41-,42-,43+,48-,49+/m1/s1
InChIKey QPXQSRSMLGEOBV-USGABKDYSA-N
Literature Reference Author H.M.ZUURMOND,P.A.M.VANDERKLEIN,G.H.VEENEMAN,J.H.VANBOOM
Literature Reference Citation REC.TR.CH.P.-B.,109,437(1990)
Literature Reference DOI 10.1002/recl.19901090709
Molecular Weight 1017.478 g/mol
Solvent CDCl3
Source File Reference UWTS2545