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(5-Benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate

View entire compound with spectra: 1 NMR

(5-Benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate
SpectraBase Compound ID 6R8SiusfFAq
InChI InChI=1S/C22H22O7/c1-27-17-12-16(13-28-21(25)14-8-4-2-5-9-14)18(23)20(19(17)24)29-22(26)15-10-6-3-7-11-15/h2-12,17-20,23-24H,13H2,1H3
InChIKey HITZIDGSAVZVQH-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H95TlUA8VdB
Name (5-Benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.136553041 u
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-27-17-12-16(13-28-21(25)14-8-4-2-5-9-14)18(23)20(19(17)24)29-22(26)15-10-6-3-7-11-15/h2-12,17-20,23-24H,13H2,1H3
InChIKey HITZIDGSAVZVQH-UHFFFAOYSA-N
Molecular Weight 398.411 g/mol
SMILES C1=C(C(C(C(C1OC)O)OC(C1=CC=CC=C1)=O)O)COC(=O)C1=CC=CC=C1