Spektraris NMR
13a,15a-Dihydroxy-ent-kaur-16-en-3-one
Common Name: 13a,15a-Dihydroxy-ent-kaur-16-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12-16(22)19-9-5-13-17(2,3)15(21)7-8-18(13,4)14(19)6-10-20(12,23)11-19/h13-14,16,22-23H,1,5-11H2,2-4H3/t13-,14+,16+,18-,19-,20+/m1/s1
InChIKey: InChIKey=YEQZIMWOTHWBCW-YWVZRHABSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nozaki, H., Hayashi, K., Okuda, K., Kuyama, F., Ono, K., Matsuo, A. Planta Med (2007) 73, 689-95
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) | 39 |
| 2 (CH2) | 34 |
| 3 (C) | 217.7 |
| 4 (C) | 47.1 |
| 5 (CH) | 53.9 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 37.4 |
| 8 (C) | 45.9 |
| 9 (CH) | 44 |
| 10 (C) | 37.9 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 39.6 |
| 13 (C) | 77.9 |
| 14 (CH2) | 44.1 |
| 15 (CH) | 80.4 |
| 16 (C) | 159.1 |
| 17 (CH2) | 105.8 |
| 18 (CH3) | 27.2 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 17.5 |
