5-Chloro-3-[(1E)-3,4-dihydroxy-3,5-dimethyl-1-hepten-1-yl]-7,8-dihydroxy-7-methyl-7,8-dihydro-6H-isochromen-6-one

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Systematic / IUPAC Name: 5-Chloro-3-[(1E)-3,4-dihydroxy-3,5-dimethyl-1-hepten-1-yl]-7,8-dihydroxy-7-methyl-7,8-dihydro-6H-isochromen-6-one

ID: Reference7707

Other Names: 6H-2-Benzopyran-6-one, 5-chloro-3-[(1E)-3,4-dihydroxy-3,5-dimethyl-1-hepten-1-yl]-7,8-dihydro-7,8-dihydroxy-7-methyl-

Formula: C19H25ClO6

Spectral Data

5-Chloro-3-[(1E)-3,4-dihydroxy-3,5-dimethyl-1-hepten-1-yl]-7,8-dihydroxy-7-methyl-7,8-dihydro-6H-isochromen-6-one 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 4/5/2018 10:50:14 AM
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Identificators

InChI InChI=1S/C19H25ClO6/c1-5-10(2)15(21)18(3,24)7-6-11-8-12-13(9-26-11)16(22)19(4,25)17(23)14(12)20/h6-10,15-16,21-22,24-25H,5H2,1-4H3/b7-6+
InChI Key BRELKNNWUMEGDN-VOTSOKGWSA-N
Canonical SMILES CCC(C)C(C(C)(C=CC1=CC2=C(C(=O)C(C(C2=CO1)O)(C)O)Cl)O)O
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Other Names 6H-2-Benzopyran-6-one, 5-chloro-3-[(1E)-3,4-dihydroxy-3,5-dimethyl-1-hepten-1-yl]-7,8-dihydro-7,8-dihydroxy-7-methyl-

In Other Databases

ChemSpider 24022632
PubChem 24150629