Psoralidin

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Systematic / IUPAC Name: 3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one

ID: Reference6221

Other Names: 3,9-Dihydroxy-2-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one ;
3,9-Dihydroxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one;
3,9-Dihydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one;
3,9-Dihydroxy-2-prenylcoumestan;
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-2-(3-methyl-2-butenyl)-

Formula: C20H16O5

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Psoralidin 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 Elite
No. of Spectral Trees 1
No. of Spectra 3838
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/17/2017 2:17:57 PM
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Identificators

InChI InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3
InChI Key YABIJLLNNFURIJ-UHFFFAOYSA-N
Canonical SMILES CC(=CCC1=C(C=C2C(=C1)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O)C
CAS 18642234
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Other Names 3,9-Dihydroxy-2-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one ;
3,9-Dihydroxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one;
3,9-Dihydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one;
3,9-Dihydroxy-2-prenylcoumestan;
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-2-(3-methyl-2-butenyl)-

In Other Databases

HMDb HMDB34050
ChEBI CHEBI:8616
PubChem 5281806
Wikipedia Psoralidin
ChemIDPlus 018642234
ChemSpider 4445118
KEGG C10523