Spektraris NMR
Butyl kaur-16-en-19-oate
Common Name: Butyl kaur-16-en-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O2/c1-5-6-14-26-21(25)23(4)12-7-11-22(3)19(23)10-13-24-15-17(2)18(16-24)8-9-20(22)24/h18-20H,2,5-16H2,1,3-4H3/t18-,19+,20+,22-,23-,24-/m1/s1
InChIKey: InChIKey=LENHXCQLZKEWNT-MYJAMYHXSA-N
Formula: C24H38O2
Molecular Weight: 358.55822
Exact Mass: 358.28718
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) | 40.1 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 37.9 |
| 4 (C) | 41.3 |
| 5 (CH) | 57.5 |
| 6 (CH2) | 21.4 |
| 7 (CH2) | 40.9 |
| 8 (C) | 44.5 |
| 9 (CH) | 56.3 |
| 10 (C) | 38.6 |
| 11 (CH2) | 19.6 |
| 12 (CH2) | 32.6 |
| 13 (CH) | 41.7 |
| 14 (CH2) | 39.9 |
| 15 (CH2) | 48.8 |
| 16 (C) | 155.8 |
| 17 (CH2) | 102.8 |
| 18 (CH3) | 29.5 |
| 19 (C) | 177.4 |
| 20 (CH3) | 16.1 |
| 19a (CH2) | 63.9 |
| 19b (CH2) | 30.3 |
| 19c (CH2) | 20 |
| 19d (CH3) | 14.3 |
