Spektraris NMR
Methyl 16-oxo-17-norkauran-19-oate
Common Name: Methyl 16-oxo-17-norkauran-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-18-8-4-9-19(2,17(22)23-3)15(18)7-10-20-11-13(14(21)12-20)5-6-16(18)20/h13,15-16H,4-12H2,1-3H3/t13-,15+,16+,18-,19-,20+/m1/s1
InChIKey: InChIKey=DUHHVCIETLIRHC-PMHNSBFUSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
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) | 41.3 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 37.9 |
| 4 (C) | 43.1 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 21.4 |
| 7 (CH2) | 41.7 |
| 8 (C) | 44.4 |
| 9 (CH) | 54.6 |
| 10 (C) | 40.2 |
| 11 (CH2) | 19.4 |
| 12 (CH2) | 30.1 |
| 13 (CH) | 48.4 |
| 14 (CH2) | 38.6 |
| 15 (CH2) | 55.6 |
| 16 (C) | 223.2 |
| 18 (CH3) | 29.4 |
| 19 (C) | 178.5 |
| 20 (CH3) | 16.5 |
| 19a (CH3) | 51.9 |
