Spektraris NMR
Methyl labd-8-en-15-oate
Common Name: Methyl labd-8-en-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h15,18H,7-14H2,1-6H3/t15?,18-,21+/m0/s1
InChIKey: InChIKey=YGWNSYBZXZHSJI-RJJXBHFZSA-N
Formula: C21H36O2
Molecular Weight: 320.510131
Exact Mass: 320.27153
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) | 33.6 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 39.5 |
| 4 (C) | 33.3 |
| 5 (CH) | 51.8 |
| 6 (CH2) | 25.4 |
| 7 (CH2) | 36.9 |
| 8 (C) | 125.4 |
| 9 (C) | 140.4 |
| 10 (C) | 38.9 |
| 11 (CH2) | 19 |
| 12 (CH2) | 41.4 |
| 13 (CH) | 31.5 |
| 14 (CH2) | 37.3 |
| 15 (C) | 173.6 |
| 16 (CH3) | 19 |
| 17 (CH3) | 20.1 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 19.6 |
| 15a (CH3) | 51.9 |
