[5-(Benzoyloxy)-4,6-dihydroxy-3-methoxy-1-cyclohexen-1-yl]methyl benzoate

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Systematic / IUPAC Name: (5-Benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate

ID: Reference7957

Other Names: 4-Cyclohexene-1,2,3-triol, 4-[(benzoyloxy)methyl]-6-methoxy-, 2-benzoate

Formula: C22H22O7

Spectral Data

[5-(Benzoyloxy)-4,6-dihydroxy-3-methoxy-1-cyclohexen-1-yl]methyl benzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2018 1:07:33 PM
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Identificators

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
InChI Key HITZIDGSAVZVQH-UHFFFAOYSA-N
Canonical SMILES COC1C=C(C(C(C1O)OC(=O)C2=CC=CC=C2)O)COC(=O)C3=CC=CC=C3
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Other Names 4-Cyclohexene-1,2,3-triol, 4-[(benzoyloxy)methyl]-6-methoxy-, 2-benzoate

In Other Databases

PubChem 45360019
ChemSpider 22370312