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[(2S,3R,5R,6S)-5-benzoyloxy-3-hydroxy-6-(2-methoxy-2-oxo-ethyl)tetrahydropyran-2-yl]methyl benzoate
SpectraBase Compound ID 2QCrCaTexKc
InChI InChI=1S/C23H24O8/c1-28-21(25)13-19-18(31-23(27)16-10-6-3-7-11-16)12-17(24)20(30-19)14-29-22(26)15-8-4-2-5-9-15/h2-11,17-20,24H,12-14H2,1H3/t17-,18-,19+,20+/m1/s1
InChIKey CRNMBKJMOKLUAZ-ZRNYENFQSA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwxrdeKL9gH
Name [(2S,3R,5R,6S)-5-Benzoyloxy-3-hydroxy-6-(2-methoxy-2-oxo-ethyl)tetrahydropyran-2-yl]methyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.147117725 u
Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-28-21(25)13-19-18(31-23(27)16-10-6-3-7-11-16)12-17(24)20(30-19)14-29-22(26)15-8-4-2-5-9-15/h2-11,17-20,24H,12-14H2,1H3/t17-,18-,19+,20+/m1/s1
InChIKey CRNMBKJMOKLUAZ-ZRNYENFQSA-N
Molecular Weight 428.437 g/mol
SMILES [C@@]1(O[C@]([C@@](C[C@]1(OC(=O)C=1C=CC=CC1)[H])(O)[H])(COC(=O)C1=CC=CC=C1)[H])(CC(=O)OC)[H]