Systematic / IUPAC Name: 2-[6-(2-Methyl-3-buten-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]-2-propanyl acetate
ID: Reference7953
Other Names:
Chalepin acetate;
2-(1-Acetyloxy-1-methylethyl)-6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one ;
2-[6-(2-Methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate;
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-
Formula: C21H24O5
Rutamarin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 5/15/2018 10:04:23 AM |
InChI | InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3 |
InChI Key | AWMHMGFGCLBSAY-UHFFFAOYSA-N |
Canonical SMILES | CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C |
CAS | |
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Other Names |
Chalepin acetate; 2-(1-Acetyloxy-1-methylethyl)-6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one ; 2-[6-(2-Methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate; 7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro- |
ChemIDPlus | 014882941; 1092383760; 13164051; 14882941 |
ChemSpider | 25094 |
ChEMBL | CHEMBL1917738 |
PubChem | 26948 |
HMDb | HMDB30666 |