Spektraris NMR
4(13),7-Coloratadien-12,11-olide
Common Name: 4(13),7-Coloratadien-12,11-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O2/c1-9-6-7-15(3)12(10(9)2)5-4-11-13(15)8-17-14(11)16/h4,9,12-13H,2,5-8H2,1,3H3/t9-,12-,13-,15-/m0/s1
InChIKey: InChIKey=CQWUYORFTUWURA-STAGSXQKSA-N
Formula: C15H20O2
Molecular Weight: 232.318663
Exact Mass: 232.14633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wube, A.A., Bucar, F., Gibbons, S., Asres, K. Phytochemistry (2005) 66, 2309-15
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Coloratanes; 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 (CH2) | 39.7 |
| 2 (CH2) | 32.3 |
| 3 (CH) | 38.8 |
| 4 (C) | 151.6 |
| 5 (CH) | 45.9 |
| 6 (CH2) | 26.9 |
| 7 (CH) | 135.5 |
| 8 (C) | 127 |
| 9 (CH) | 49.3 |
| 10 (C) | 36.7 |
| 11 (CH2) | 67.9 |
| 12 (C) | 170.2 |
| 13 (CH2) | 105.5 |
| 14 (CH3) | 18.6 |
| 15 (CH3) | 12.5 |
