Bergapten
3444
Reference
Bergapten Structure
Systematic / IUPAC Name: 4-Methoxy-7H-furo[3,2-g]chromen-7-one
ID: Reference3444
Other Names:
Bergaptan;
Bergaptene;
Heraclin;
Majudin;
Pentaderm
; more
Formula: C12H8O4
Class: Endogenous Metabolites Natural Products/Medicines
Spectral Data
Bergapten mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 917 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | IT; FT |
| Last Modification | 11/30/2015 9:05:05 AM |
Identificators
| InChI | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
| InChI Key | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| Canonical SMILES | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| CAS | 484208 |
| Splash | |
| Other Names |
Bergaptan; Bergaptene; Heraclin; Majudin; Pentaderm; Psoraderm; 4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-Methoxy-7-furo[3,2-g][1]benzopyranone; 4-Methoxyfuro[3,2-g]benzopyran-7-one; 4-Methoxyfuro[3,2-g]benzopyrane-7-one; 4-Methoxyfuro[3,2-g]chromen-7-one; 5-Methoxy-2H-furo[3,2-g]chromen-2-one; 5-Methoxy-6,7-furanocoumarin; 5-Methoxyfurano[3,2-g]chromen-2-one; 5-Methoxyfuranocoumarin; 5-Methoxypsoralen; 5-Methoxypsoralene; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, γ-lactone; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-; O-Methylbergaptol |