Spektraris NMR
CHEMBL2064611
Common Name: CHEMBL2064611
Synonyms: CHEMBL2064611
CAS Registry Number:
InChI: InChI=1S/C22H26O5/c1-6-8-13-11-15(23)26-20-14-9-10-22(4,5)27-21(14)17(19(25)16(13)20)18(24)12(3)7-2/h9-12,25H,6-8H2,1-5H3
InChIKey: InChIKey=UOITWFKGLACCRG-UHFFFAOYSA-N
Formula: C22H26O5
Molecular Weight: 370.439674
Exact Mass: 370.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cruz, F.G., Silva-Neto, J.T.d., Guedes, M.L.S. J Braz Chem Soc (2000) 12, 117-22
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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) | 159.6 |
| 3 (CH) | 110.1 |
| 4 (C) | 159.2 |
| 5 (C) | 165.1 |
| 6 (C) | 106.7 |
| 7 (C) | 157.1 |
| 8 (C) | 101.4 |
| 9 (C) | 154.9 |
| 10 (C) | 103.1 |
| 1' (CH2) | 38.3 |
| 2' (CH2) | 22.6 |
| 3' (CH3) | 13.8 |
| 6a (C) | 211.7 |
| 6b (CH) | 46.5 |
| 6c (CH2) | 26.6 |
| 6d (CH3) | 11.7 |
| 6ba (CH3) | 16.6 |
| 8a (CH) | 115.5 |
| 8b (CH) | 126.1 |
| 8c (C) | 79.5 |
| 8d (CH3) | 27.9 |
| 8e (CH3) | 27.9 |
