Ostruthin

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Systematic / IUPAC Name: 6-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-7-hydroxy-2H-chromen-2-one

ID: Reference7507

Other Names: Ostruthine;
2H-1-Benzopyran-2-one,6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-,(E)-;
2H-1-Benzopyran-2-one,6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy- ;
6-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxycoumarin;
6-[(2E)-3,7-Dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one ; more

Formula: C19H22O3

Spectral Data

Ostruthin 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
No. of Spectral Trees 2
No. of Spectra 743
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/9/2018 2:16:38 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
InChI Key INBMTJJPUABOQJ-VGOFMYFVSA-N
Canonical SMILES CC(=CCCC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C)C
CAS 148834
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Other Names Ostruthine;
2H-1-Benzopyran-2-one,6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-,(E)-;
2H-1-Benzopyran-2-one,6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy- ;
6-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxycoumarin;
6-[(2E)-3,7-Dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one;
6-Geranyl-7-hydroxycoumarin;
Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-,(E)-

In Other Databases

ChemSpider 4444768
ChemIDPlus 000148834
PubChem 5281420
KEGG C09281
ChEMBL CHEMBL1812645
ChEBI CHEBI:69833