Spektraris NMR
Ent-kaur-16-en-2-one
Common Name: Ent-kaur-16-en-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-13-9-20-8-7-16-18(2,3)11-15(21)12-19(16,4)17(20)6-5-14(13)10-20/h14,16-17H,1,5-12H2,2-4H3/t14-,16-,17+,19-,20-/m1/s1
InChIKey: InChIKey=HPJWPPSKPWBJCT-OKHRCBHESA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcez, F.R., Garcez, W.S., da Silva, A.F.G., Bazzo, R.D., Resende, U.M. J Braz Chem Soc (2004) 15, 767-72
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 56.1 |
| 2 (C) | 212 |
| 3 (CH2) | 56.3 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 40.5 |
| 8 (C) | 44.3 |
| 9 (CH) | 55.1 |
| 10 (C) | 44.5 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 32.9 |
| 13 (CH) | 43.7 |
| 14 (CH2) | 39.3 |
| 15 (CH2) | 48.7 |
| 16 (C) | 155.1 |
| 17 (CH2) | 103.4 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 18.8 |
