5-[(Benzoyloxy)methyl]-4,5,6-trihydroxy-2-cyclohexen-1-yl benzoate

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Systematic / IUPAC Name: (5-Benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate

ID: Reference7444

Other Names: (+)-Zeylenol;
Uvaribonol B;
[5-(Benzoyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl]methyl benzoate ;
5-Cyclohexene-1,2,3,4-tetrol, 2-[(benzoyloxy)methyl]-, 4-benzoate

Formula: C21H20O7

Spectral Data

5-[(Benzoyloxy)methyl]-4,5,6-trihydroxy-2-cyclohexen-1-yl 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
No. of Spectral Trees 3
No. of Spectra 3540
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/21/2018 2:36:01 PM
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Identificators

InChI InChI=1S/C21H20O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2
InChI Key AWCUZBLYCWUTRL-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(=O)OCC2(C(C=CC(C2O)OC(=O)C3=CC=CC=C3)O)O
CAS
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Other Names (+)-Zeylenol;
Uvaribonol B;
[5-(Benzoyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl]methyl benzoate ;
5-Cyclohexene-1,2,3,4-tetrol, 2-[(benzoyloxy)methyl]-, 4-benzoate

In Other Databases

PubChem 14283260
HMDb HMDB29541
ChemSpider 22370168