Spektraris NMR
Chromenol
Common Name: Chromenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O3/c1-15(2)11-19(23)12-16(3)7-6-9-22(5)10-8-18-14-20(24)17(4)13-21(18)25-22/h7-8,10,13-15,24H,6,9,11-12H2,1-5H3/b16-7+
InChIKey: InChIKey=AIFCJVAASWMODR-FRKPEAEDSA-N
Formula: C22H30O3
Molecular Weight: 342.472627
Exact Mass: 342.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - McPhail, K.L., Davies-Coleman, M.T., Starmer, J. J Nat Prod (2001) 64, 1183-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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 (CH) | 122.4 |
| 2 (CH) | 129.5 |
| 3 (C) | 77.9 |
| 4 (CH2) | 40.6 |
| 5 (CH2) | 22.9 |
| 6 (CH) | 129.4 |
| 7 (C) | 129.2 |
| 8 (CH2) | 54.4 |
| 9 (C) | 209.6 |
| 10 (CH2) | 50.6 |
| 11 (CH) | 24.4 |
| 12 (CH3) | 22.5 |
| 13 (CH3) | 22.5 |
| 14 (CH3) | 16.3 |
| 15 (CH3) | 26.1 |
| 1' (C) | 146.7 |
| 2' (C) | 119.5 |
| 3' (CH) | 112.5 |
| 4' (C) | 147.5 |
| 5' (C) | 124.6 |
| 6' (CH) | 118.1 |
| 7' (CH3) | 15.9 |
