Spektraris NMR
16-Oxo-ent-halima-5(10), 13E-dien- 15-oic acid
Common Name: 16-Oxo-ent-halima-5(10), 13E-dien- 15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-7-8-16-17(6-5-10-19(16,2)3)20(14,4)11-9-15(13-21)12-18(22)23/h12-14H,5-11H2,1-4H3,(H,22,23)/b15-12+/t14-,20+/m1/s1
InChIKey: InChIKey=LQVWGTLJFDCAOZ-WRBSINQUSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hara, N., Asaki, H., Fujimoto, Y., Gupta, Y.K., Singh, A.K., Sahai, M. Phytochemistry (1995) 38, 189-94
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 25.2 |
| 2 (CH2) | 20 |
| 3 (CH2) | 39.9 |
| 4 (C) | 34.5 |
| 5 (C) | 137.2 |
| 6 (CH2) | 25 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 33.5 |
| 9 (C) | 41.1 |
| 10 (C) | 132.2 |
| 11 (CH2) | 31.6 |
| 12 (CH2) | 20.3 |
| 13 (C) | 157.4 |
| 14 (CH) | 133.9 |
| 15 (C) | 170.2 |
| 16 (CH) | 194.3 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 27.8 |
| 19 (CH3) | 29.2 |
| 20 (CH3) | 21 |
