Methyl 4-[(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxo-1-cyclohexen-1-yl)oxy]-2-hydroxy-3,6-dimethylbenzoate

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Systematic / IUPAC Name: Methyl 4-[(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxo-1-cyclohexen-1-yl)oxy]-2-hydroxy-3,6-dimethylbenzoate

ID: Reference7541

Other Names: Benzoic acid, 4-[(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxo-1-cyclohexen-1-yl)oxy]-2-hydroxy-3,6-dimethyl-, methyl ester

Formula: C19H24O8

Spectral Data

Methyl 4-[(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxo-1-cyclohexen-1-yl)oxy]-2-hydroxy-3,6-dimethylbenzoate 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 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/14/2018 11:40:39 AM
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Identificators

InChI InChI=1S/C19H24O8/c1-8-7-11(9(2)13(20)12(8)18(24)25-5)27-15-10(3)14(21)16(22)19(4,26-6)17(15)23/h7,16-17,20,22-23H,1-6H3
InChI Key BXZJZDQDHHZIIB-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C(=C1C(=O)OC)O)C)OC2=C(C(=O)C(C(C2O)(C)OC)O)C
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Other Names Benzoic acid, 4-[(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxo-1-cyclohexen-1-yl)oxy]-2-hydroxy-3,6-dimethyl-, methyl ester

In Other Databases

ChemSpider 22943141
PubChem 45782752