Spektraris NMR
Methyl 3-oxo-labd-8(17)-en-15-oate
Common Name: Methyl 3-oxo-labd-8(17)-en-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h14,16-17H,2,7-13H2,1,3-6H3/t14?,16-,17-,21+/m0/s1
InChIKey: InChIKey=SWMZFPVZHOCJDK-LMPKTHNLSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - David, J.P., Ferrari, J., David, J.M., Guimaraes, A.G., Lima, F., de Souza, G.L.S. J Braz Chem Soc (2007) 18, 1585-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 35.3 |
| 2 (CH2) | 34.4 |
| 3 (C) | 216.2 |
| 4 (C) | 47.4 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 24.8 |
| 7 (CH2) | 37.6 |
| 8 (C) | 146.9 |
| 9 (CH) | 55.6 |
| 10 (C) | 39 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 37.3 |
| 13 (CH) | 30.5 |
| 14 (CH2) | 41.5 |
| 15 (C) | 173.2 |
| 16 (CH3) | 21.4 |
| 17 (CH2) | 107.2 |
| 18 (CH3) | 25.6 |
| 19 (CH3) | 19.3 |
| 20 (CH3) | 13.8 |
| 15a (CH3) | 51 |
