Spektraris NMR
11,13-Dihydropechueloic acid
Common Name: 11,13-Dihydropechueloic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-8-4-5-11(9(2)15(17)18)6-13-10(3)14(16)7-12(8)13/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9?,11+,12-/m0/s1
InChIKey: InChIKey=ZRRRSDGANYJDPM-VCZYFZCGSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miski, M., De Luengo, D.H., Mabry, T.J. Phytochemistry (1987) 26, 199-200
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) | 45.5 |
| 2 (CH2) | 40.7 |
| 3 (C) | 208.8 |
| 4 (C) | 137.2 |
| 5 (C) | 175.9 |
| 6 (CH2) | 29.4 |
| 7 (CH) | 38.4 |
| 8 (CH2) | 27.6 |
| 9 (CH2) | 38.4 |
| 10 (CH) | 36 |
| 11 (CH) | 45 |
| 12 (CH3) | 11.5 |
| 13 (C) | 179 |
| 14 (CH3) | 12.1 |
| 15 (CH3) | 7.3 |
