Spektraris NMR
16-Oxocleroda-4(18),13E-dien-15-oic aci
Common Name: 16-Oxocleroda-4(18),13E-dien-15-oic aci
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-6-5-7-17-19(14,3)10-8-15(2)20(17,4)11-9-16(13-21)12-18(22)23/h12-13,15,17H,1,5-11H2,2-4H3,(H,22,23)/b16-12+/t15-,17+,19+,20+/m1/s1
InChIKey: InChIKey=MJYWITJYGIRBDN-HEZUFYQYSA-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 : Clerodanes; 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) | 21.6 |
| 2 (CH2) | 33.2 |
| 3 (CH2) | 28.6 |
| 4 (C) | 160.7 |
| 5 (C) | 40 |
| 6 (CH2) | 37.4 |
| 7 (CH2) | 27.6 |
| 8 (CH) | 37 |
| 9 (C) | 40.1 |
| 10 (CH) | 48.8 |
| 11 (CH2) | 36.7 |
| 12 (CH2) | 19.2 |
| 13 (C) | 157.7 |
| 14 (CH) | 134.2 |
| 15 (C) | 171.4 |
| 16 (CH) | 194.1 |
| 17 (CH3) | 15.9 |
| 18 (CH2) | 102.5 |
| 19 (CH3) | 20.8 |
| 20 (CH3) | 17.9 |
