Spektraris NMR
Methyl 7-oxoabieta-7,12-dien-18-oate
Common Name: Methyl 7-oxoabieta-7,12-dien-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-13(2)14-7-9-16-15(18(14)22)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24-5/h7-8,13,16-17H,6,9-12H2,1-5H3/t16-,17+,20+,21+/m0/s1
InChIKey: InChIKey=HBFZQIYLNPUMGE-XWDORNJCSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alvarez-Manzaneda, E., Chahboun, R., Bentaleb, F., Alvarez, E., Escobar, M.A., Diki, S.S.-., Cano, M.J., Messouri, I. Tetrahedron (2007) 63, 11204-12
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.9 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 38.1 |
| 4 (C) | 46.1 |
| 5 (CH) | 43.6 |
| 6 (CH2) | 26 |
| 7 (CH) | 135.7 |
| 8 (C) | 135 |
| 9 (CH) | 49.6 |
| 10 (C) | 37 |
| 11 (CH2) | 23.1 |
| 12 (CH) | 140.6 |
| 13 (C) | 145.7 |
| 14 (C) | 186.3 |
| 15 (CH) | 26.7 |
| 16 (CH3) | 22.3 |
| 17 (CH3) | 23.1 |
| 18 (C) | 178.5 |
| 19 (CH3) | 14.9 |
| 20 (CH3) | 16.9 |
| 18a (CH3) | 52 |
