Spektraris NMR
3-oxo-eremophila-9,11(13)dien-12-carboxylic
Common Name: 3-oxo-eremophila-9,11(13)dien-12-carboxylic
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9(14(17)18)11-4-5-12-6-7-13(16)10(2)15(12,3)8-11/h5,10-11H,1,4,6-8H2,2-3H3,(H,17,18)/t10-,11+,15+/m0/s1
InChIKey: InChIKey=AXYFUUAVMRWJKT-FIXISWKDSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Hamd, H.M.A., Ahmed, A.A., Wollenweber, E., Bohm, B., Asakawa, Y. Chem Pharm Bull (2006) 54, 152-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 30.9 |
| 2 (CH2) | 43.1 |
| 3 (C) | 212 |
| 4 (CH) | 52.7 |
| 5 (C) | 41.7 |
| 6 (CH2) | 40.2 |
| 7 (CH) | 31.5 |
| 8 (CH2) | 31.4 |
| 9 (CH) | 120.6 |
| 10 (C) | 142.2 |
| 11 (C) | 144 |
| 12 (C) | 172.3 |
| 13 (CH2) | 125.5 |
| 14 (CH3) | 22.2 |
| 15 (CH3) | 7.5 |
