Spektraris NMR
Methyl kaur-16-en-19-oate
Common Name: Methyl kaur-16-en-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O2/c1-14-12-21-11-8-16-19(2,17(21)7-6-15(14)13-21)9-5-10-20(16,3)18(22)23-4/h15-17H,1,5-13H2,2-4H3/t15-,16+,17+,19-,20-,21-/m1/s1
InChIKey: InChIKey=DWTRNJFPDXIFSY-YXEXTMMPSA-N
Formula: C21H32O2
Molecular Weight: 316.478368
Exact Mass: 316.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boeck, P., Sa, M.M., de Souza, B.S., Cercena, R., Escalante, A.M., Zachino, S.A., Cechinel, V., Yunes, R.A. J Braz Chem Soc (2005) 16, 1360-6
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) | 40.7 |
| 2 (CH2) | 19 |
| 3 (CH2) | 38 |
| 4 (C) | 43.8 |
| 5 (CH) | 57 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 41.2 |
| 8 (C) | 44.2 |
| 9 (CH) | 55 |
| 10 (C) | 39.4 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 33.1 |
| 13 (CH) | 43.8 |
| 14 (CH2) | 39.6 |
| 15 (CH2) | 48.9 |
| 16 (C) | 155.8 |
| 17 (CH2) | 102.9 |
| 18 (CH3) | 28.7 |
| 19 (C) | 178 |
| 20 (CH3) | 15.3 |
| 19a (CH3) | 51.1 |
