5-Chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8a-dihydroxy-1-methoxy-7-methyl-1H-isochromene-6,8-dione

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Systematic / IUPAC Name: 5-Chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8a-dihydroxy-1-methoxy-7-methyl-1H-isochromene-6,8-dione

ID: Reference7683

Other Names:

Formula: C20H25ClO6

Spectral Data

5-Chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8a-dihydroxy-1-methoxy-7-methyl-1H-isochromene-6,8-dione 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 1:30:12 PM
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Identificators

InChI InChI=1S/C20H25ClO6/c1-6-11(2)9-12(3)7-8-13-10-14-15(21)16(22)19(4,24)17(23)20(14,25)18(26-5)27-13/h7-11,18,24-25H,6H2,1-5H3/b8-7+,12-9+
InChI Key GOQQRZOTZSUDEC-ANKZSMJWSA-N
Canonical SMILES CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2(C(O1)OC)O)(C)O)Cl
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In Other Databases

PubChem 75528895