3-[5-Hydroxy-7-methoxy-2,3-dimethyl-6-(3-methyl-2-buten-1-yl)-4-oxo-3,4-dihydro-2H-chromen-8-yl]hexanoic acid

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Systematic / IUPAC Name: 3-[5-Hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid

ID: Reference7813

Other Names: 2H-1-Benzopyran-8-propanoic acid, 3,4-dihydro-5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methyl-2-buten-1-yl)-4-oxo-β-propyl-

Formula: C23H32O6

Spectral Data

3-[5-Hydroxy-7-methoxy-2,3-dimethyl-6-(3-methyl-2-buten-1-yl)-4-oxo-3,4-dihydro-2H-chromen-8-yl]hexanoic 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 4/19/2018 12:31:46 PM
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Identificators

InChI InChI=1S/C23H32O6/c1-7-8-15(11-17(24)25)18-22(28-6)16(10-9-12(2)3)21(27)19-20(26)13(4)14(5)29-23(18)19/h9,13-15,27H,7-8,10-11H2,1-6H3,(H,24,25)
InChI Key UDVTWMLZUGXNQM-UHFFFAOYSA-N
Canonical SMILES CCCC(CC(=O)O)C1=C(C(=C(C2=C1OC(C(C2=O)C)C)O)CC=C(C)C)OC
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Other Names 2H-1-Benzopyran-8-propanoic acid, 3,4-dihydro-5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methyl-2-buten-1-yl)-4-oxo-β-propyl-

In Other Databases

PubChem 57509389
ChemSpider 29814086