6-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate
7720
Reference
6-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate Structure
Systematic / IUPAC Name: 6-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate
ID: Reference7720
Other Names: Benzoic acid, 4-hydroxy-2-methoxy-6-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-7-yl ester
Formula: C22H24O7
Spectral Data
6-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate 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 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 | 4/6/2018 10:10:11 AM |
Identificators
| InChI | InChI=1S/C22H24O7/c1-5-6-15-8-13-9-18(24)22(3,20(25)16(13)11-28-15)29-21(26)19-12(2)7-14(23)10-17(19)27-4/h5-8,10,18,23-24H,9,11H2,1-4H3/b6-5+ |
| InChI Key | KFFKMHLZUAKCOH-AATRIKPKSA-N |
| Canonical SMILES | CC=CC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)OC(=O)C3=C(C=C(C=C3C)O)OC |
| CAS | |
| Splash | |
| Other Names | Benzoic acid, 4-hydroxy-2-methoxy-6-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-7-yl ester |