Spektraris NMR
6-Methoxy-5-(3-hydroxy-2-oxo-3-methyl-butyl)-angelicin
Common Name: 6-Methoxy-5-(3-hydroxy-2-oxo-3-methyl-butyl)-angelicin
Synonyms: 6-Methoxy-5-(3-hydroxy-2-oxo-3-methyl-butyl)-angelicin
CAS Registry Number:
InChI: InChI=1S/C17H16O6/c1-17(2,20)12(18)8-11-9-4-5-13(19)23-14(9)10-6-7-22-16(10)15(11)21-3/h4-7,20H,8H2,1-3H3
InChIKey: InChIKey=BINPGDKSILOOII-UHFFFAOYSA-N
Formula: C17H16O6
Molecular Weight: 316.305992
Exact Mass: 316.094688
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Franke K., Porzel A., Masaoud M., Adam G., Schmidt J. Phytochemistry (2001) 56, 611-21
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Furocoumarins; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 160.4 |
| 3 (CH) | 114.6 |
| 4 (CH) | 141.1 |
| 5 (C) | 117.4 |
| 6 (C) | 140.2 |
| 7 (C) | 148.1 |
| 8 (C) | 118.4 |
| 2' (CH) | 145.4 |
| 3' (CH) | 104.6 |
| 4a (C) | 113.4 |
| 5a (CH2) | 32.8 |
| 5b (C) | 211.3 |
| 5c (C) | 76.4 |
| 5d (CH3) | 26.9 |
| 5ac (CH3) | 26.9 |
| 6a (CH3) | 60.7 |
| 8a (C) | 144.3 |
