{5-Chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-1-methoxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl} acetate

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Systematic / IUPAC Name: {5-Chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-1-methoxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl} acetate

ID: Reference7681

Other Names:

Formula: C22H27ClO7

Spectral Data

{5-Chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-1-methoxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl} acetate 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 1:24:35 PM
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Identificators

InChI InChI=1S/C22H27ClO7/c1-7-12(2)10-13(3)8-9-15-11-16-17(23)18(25)21(5,30-14(4)24)19(26)22(16,27)20(28-6)29-15/h8-12,20,27H,7H2,1-6H3/b9-8+,13-10+
InChI Key QBTPSJBCRQLPLW-PEGOPYGQSA-N
Canonical SMILES CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2(C(O1)OC)O)(C)OC(=O)C)Cl
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In Other Databases

PubChem 75528896