Spektraris NMR
Methoxycolorenone
Common Name: Methoxycolorenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H26O2/c1-10-6-7-12(16(3,4)18-5)8-14-11(2)15(17)9-13(10)14/h10,12-13H,6-9H2,1-5H3/t10-,12?,13-/m0/s1
InChIKey: InChIKey=FPFGCIHDTIGJQG-VLIRHVTKSA-N
Formula: C16H26O2
Molecular Weight: 250.377044
Exact Mass: 250.19328
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Handayani, D., Edrada, R.A., Proksch, P., Wray, V., Witte, L., vanOfwegen, L., Kunzmann, A. J Nat Prod (1997) 60, 716-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 46.1 |
| 2 (CH2) | 41.8 |
| 3 (C) | 206.9 |
| 4 (C) | 137.9 |
| 5 (C) | 175.2 |
| 6 (CH2) | 34 |
| 7 (CH) | 44.9 |
| 8 (CH2) | 27.3 |
| 9 (CH2) | 37.5 |
| 10 (CH) | 36.5 |
| 11 (C) | 77.4 |
| 12 (CH3) | 22 |
| 13 (CH3) | 22.5 |
| 14 (CH3) | 12.4 |
| 15 (CH3) | 8 |
| 11a (CH3) | 48.7 |
