Spektraris NMR
Cedrecoumarin A
Common Name: Cedrecoumarin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H12O4/c1-14(2)6-5-9-8-3-4-12(16)17-11(8)7-10(15)13(9)18-14/h3-7,15H,1-2H3
InChIKey: InChIKey=OGTYTYOKQRCQEM-UHFFFAOYSA-N
Formula: C14H12O4
Molecular Weight: 244.243211
Exact Mass: 244.073559
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Mulholland D.A., Kotsos M., Mahomed H.A., Koorbanally N.A., Randrianarivelojosia M., van Ufford L.Q., van den Berg A.J. Phytochemistry (2002) 61, 919-22
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Pyranocoumarins; 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) | 162.5 |
| 3 (CH) | 111.4 |
| 4 (CH) | 140.28 |
| 5 (C) | 117.64 |
| 6 (C) | 137.84 |
| 7 (C) | 149.99 |
| 8 (CH) | 102.63 |
| 9 (C) | 150.43 |
| 10 (C) | 107.31 |
| 2' (C) | 76.49 |
| 3' (CH) | 133.49 |
| 4' (CH) | 116.72 |
| 5' (CH3) | 26.25 |
| 6' (CH3) | 26.25 |
