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[(3AS,5R,6S,7R,7AS)-7-(BENZOYLOXY)-5,6-DIHYDROXY-2-OXOHEXAHYDROBENZO-[D]-[1,3]-DIOXOL-3A-YL]-METHYL-BENZOATE
SpectraBase Compound ID 1oLJMxyWqqX
InChI InChI=1S/C22H20O9/c23-15-11-22(12-28-19(25)13-7-3-1-4-8-13)18(30-21(27)31-22)17(16(15)24)29-20(26)14-9-5-2-6-10-14/h1-10,15-18,23-24H,11-12H2/t15-,16+,17-,18+,22+/m1/s1
InChIKey SFSHSRAOQWFWAH-QSAVSUGSSA-N
Mol Weight 428.39 g/mol
Molecular Formula C22H20O9
Exact Mass 428.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Axw2PGEfkeD
Name [(3AS,5R,6S,7R,7AS)-7-(BENZOYLOXY)-5,6-DIHYDROXY-2-OXOHEXAHYDROBENZO-[D]-[1,3]-DIOXOL-3A-YL]-METHYL-BENZOATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O9
InChI InChI=1S/C22H20O9/c23-15-11-22(12-28-19(25)13-7-3-1-4-8-13)18(30-21(27)31-22)17(16(15)24)29-20(26)14-9-5-2-6-10-14/h1-10,15-18,23-24H,11-12H2/t15-,16+,17-,18+,22+/m1/s1
InChIKey SFSHSRAOQWFWAH-QSAVSUGSSA-N
Literature Reference Author Y.ZHANG,A.LIU,Z.G.YE,J.LIN,L.Z.XU,S.L.YANG
Literature Reference Citation CHEM.PHARM.BULL.,54,1459(2006)
Literature Reference DOI 10.1248/cpb.54.1459
Molecular Weight 428.395 g/mol
Sample ID 55308
Solvent CDCl3