Spektraris NMR
Costic acid methyl ester
Common Name: Costic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O2/c1-11-6-5-8-16(3)9-7-13(10-14(11)16)12(2)15(17)18-4/h13-14H,1-2,5-10H2,3-4H3/t13-,14+,16-/m1/s1
InChIKey: InChIKey=WQPKMCCPWWJBMZ-IJEWVQPXSA-N
Formula: C16H24O2
Molecular Weight: 248.361162
Exact Mass: 248.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ortega, A., Toscano, R.A., Maldonado, E. Phytochemistry (1998) 49, 1085-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 41.9 |
| 2 (CH2) | 23.5 |
| 3 (CH2) | 36.8 |
| 4 (C) | 150.6 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 30 |
| 7 (CH) | 39.7 |
| 8 (CH2) | 27.3 |
| 9 (CH2) | 41.1 |
| 10 (C) | 35.9 |
| 11 (C) | 146 |
| 12 (CH2) | 122.3 |
| 13 (C) | 167.9 |
| 14 (CH3) | 16.3 |
| 15 (CH2) | 105.4 |
| 13a (CH3) | 51.7 |
