Spektraris NMR
Methyl 8_,9_-epoxy-labd-8-en-15-oate
Common Name: Methyl 8_,9_-epoxy-labd-8-en-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O3/c1-15(14-17(22)23-6)8-13-21-19(4)11-7-10-18(2,3)16(19)9-12-20(21,5)24-21/h15-16H,7-14H2,1-6H3/t15?,16-,19-,20+,21-/m0/s1
InChIKey: InChIKey=SMKUSMSJNAXXQU-UVSMJKEESA-N
Formula: C21H36O3
Molecular Weight: 336.509536
Exact Mass: 336.266445
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) | 33.4 |
| 2 (CH2) | 16.7 |
| 3 (CH2) | 41.4 |
| 4 (C) | 33.6 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 29.2 |
| 7 (CH2) | 29 |
| 8 (C) | 64.7 |
| 9 (C) | 72.5 |
| 10 (C) | 38.7 |
| 11 (CH2) | 19.7 |
| 12 (CH2) | 41.4 |
| 13 (CH) | 31.4 |
| 14 (CH2) | 37 |
| 15 (C) | 173.5 |
| 16 (CH3) | 19.5 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 16.5 |
| 15a (CH3) | 51.3 |
