Spektraris NMR
Chromanol
Common Name: Chromanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-19-14-8-9-22(4,5)27-20(14)17-18(24)11(2)12(3)25-21(17)16(13)19/h8-12,18,24H,6-7H2,1-5H3/t11-,12+,18-/m0/s1
InChIKey: InChIKey=XCJYGBQSIDIDLV-IUUKEHGRSA-N
Formula: C22H26O5
Molecular Weight: 370.439674
Exact Mass: 370.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Palmer, R., L., J.J. J Chem Soc, Perkin Trans 1 (1995) 0, 3135-52
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) | 160.7 |
| 3 (CH) | 110.9 |
| 4 (C) | 158.5 |
| 5 (C) | 152.6 |
| 6 (C) | 109.1 |
| 7 (C) | 150.5 |
| 8 (C) | 102.7 |
| 9 (C) | 154.6 |
| 10 (C) | 103.4 |
| 1' (CH2) | 38.8 |
| 2' (CH2) | 23.1 |
| 3' (CH3) | 13.9 |
| 6a (CH) | 64.9 |
| 6b (CH) | 35 |
| 6c (CH) | 75.5 |
| 6d (CH3) | 16.7 |
| 6e (CH3) | 7.2 |
| 8a (CH) | 115.6 |
| 8b (CH) | 126.8 |
| 8c (C) | 78.8 |
| 8d (CH3) | 28.1 |
| 8e (CH3) | 28.3 |
