Spektraris NMR
Chinensinaphthol methyl ester
Common Name: Chinensinaphthol methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H18O7/c1-24-15-5-4-11(6-16(15)25-2)19-12-7-17-18(29-10-28-17)8-13(12)21(26-3)14-9-27-22(23)20(14)19/h4-8H,9-10H2,1-3H3
InChIKey: InChIKey=SFPLCCUNXOBTQY-UHFFFAOYSA-N
Formula: C22H18O7
Molecular Weight: 394.374958
Exact Mass: 394.105253
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Yang, M., Wu, J., Cheng, F., Zhou, Y. Magn Reson Chem (2006) 44, 727-30
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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 |
|---|---|
| 1 (C) | 131.3 |
| 2 (C) | 126.7 |
| 3 (CH) | 102.9 |
| 4 (C) | 149.8 |
| 5 (C) | 148.8 |
| 6 (CH) | 98.2 |
| 7 (C) | 147.9 |
| 8 (C) | 125.3 |
| 9 (CH2) | 66.8 |
| 1' (C) | 127.3 |
| 2' (CH) | 114.1 |
| 3' (C) | 148.5 |
| 4' (C) | 148.3 |
| 5' (CH) | 111.4 |
| 6' (CH) | 122.6 |
| 7' (C) | 133.7 |
| 8' (C) | 119.6 |
| 9' (C) | 169.2 |
| 4a (CH2) | 102.4 |
| 7a (CH3) | 59.6 |
| 3'a (CH3) | 55.7 |
| 4'a (CH3) | 55.6 |
