(4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyl-4,8-decadienoic acid

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Systematic / IUPAC Name: (4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoic acid

ID: Reference7675

Other Names: 4,8-Decadienoic acid, 10-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4,8-dimethyl-, (4E,8E)-

Formula: C22H28O6

Spectral Data

(4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyl-4,8-decadienoic acid 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 4/3/2018 9:00:15 AM
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Identificators

InChI InChI=1S/C22H28O6/c1-13(6-5-7-14(2)9-11-18(23)24)8-10-16-20(25)19-17(12-28-22(19)26)15(3)21(16)27-4/h7-8,25H,5-6,9-12H2,1-4H3,(H,23,24)/b13-8+,14-7+
InChI Key NEGCNVRPGPHOAR-CCLLZULESA-N
Canonical SMILES CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC=C(C)CCC(=O)O)OC
CAS
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Other Names 4,8-Decadienoic acid, 10-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4,8-dimethyl-, (4E,8E)-

In Other Databases

PubChem 45782899
ChemSpider 29814332