Spektraris NMR
6-Methoxy-5-(4-hydroxy-3-methyl-but-2-enyl)-angelicin
Common Name: 6-Methoxy-5-(4-hydroxy-3-methyl-but-2-enyl)-angelicin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H16O5/c1-10(9-18)3-4-12-11-5-6-14(19)22-15(11)13-7-8-21-17(13)16(12)20-2/h3,5-8,18H,4,9H2,1-2H3/b10-3-
InChIKey: InChIKey=AJKRAAXHMVEUPY-KMKOMSMNSA-N
Formula: C17H16O5
Molecular Weight: 300.306587
Exact Mass: 300.099774
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) | 160.6 |
| 3 (CH) | 114.3 |
| 4 (CH) | 141.6 |
| 5 (C) | 124.5 |
| 6 (C) | 139.6 |
| 7 (C) | 148.9 |
| 8 (C) | 117.3 |
| 2' (CH) | 145.2 |
| 3' (CH) | 104.5 |
| 4a (C) | 112.6 |
| 5a (CH2) | 61.2 |
| 5b (CH) | 24 |
| 5c (C) | 125.3 |
| 5d (CH2) | 135.7 |
| 5ac (CH3) | 21.7 |
| 6a (CH3) | 61.7 |
| 8a (C) | 144.8 |
