Spektraris NMR
Cedrecoumarin B
Common Name: Cedrecoumarin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H18O4/c1-10(2)5-6-12-11-7-8-15(17)20-13(11)9-14(18-3)16(12)19-4/h5,7-9H,6H2,1-4H3
InChIKey: InChIKey=JBKFXOOPQHTINJ-UHFFFAOYSA-N
Formula: C16H18O4
Molecular Weight: 274.312328
Exact Mass: 274.120509
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 : Coumarins; 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) | 163.5 |
| 3 (CH) | 113.1 |
| 4 (CH) | 143.3 |
| 5 (C) | 133.9 |
| 6 (C) | 154 |
| 7 (C) | 158.1 |
| 8 (CH) | 99.7 |
| 9 (C) | 145.3 |
| 10 (C) | 112.2 |
| 5a (CH2) | 25.4 |
| 5b (CH) | 123.6 |
| 5c (C) | 133.7 |
| 5d (CH3) | 18.2 |
| 5e (CH3) | 25.9 |
| 6a (CH3) | 61.4 |
| 7a (CH3) | 56.7 |
