Spektraris NMR
Methyl 7-oxo-labd-8-en-15-oate
Common Name: Methyl 7-oxo-labd-8-en-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-14(12-19(23)24-6)8-9-16-15(2)17(22)13-18-20(3,4)10-7-11-21(16,18)5/h14,18H,7-13H2,1-6H3/t14?,18-,21+/m0/s1
InChIKey: InChIKey=FZYQQUFRUMLHHQ-PZZQUYLBSA-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., Guimar√£es, A.G., Lima, F.W.d.M., Souza, G.L.S.d. 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) | 35.7 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 41.2 |
| 4 (C) | 33 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 35.2 |
| 7 (C) | 200 |
| 8 (C) | 129.7 |
| 9 (C) | 168 |
| 10 (C) | 40.8 |
| 11 (CH2) | 26.9 |
| 12 (CH2) | 35.1 |
| 13 (CH) | 31.3 |
| 14 (CH2) | 41 |
| 15 (C) | 173.1 |
| 16 (CH3) | 19.4 |
| 17 (CH3) | 11.2 |
| 18 (CH3) | 32.4 |
| 19 (CH3) | 21.2 |
| 20 (CH3) | 18.1 |
| 15a (CH3) | 51.3 |
