Spektraris NMR
7-Oxo-12-methoxyabieta-8,11,13-triene-18-oic acid methyl ester
Common Name: 7-Oxo-12-methoxyabieta-8,11,13-triene-18-oic acid methyl ester
Synonyms: 7-Oxo-12-methoxyabieta-8,11,13-triene-18-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-13(2)14-10-15-16(11-18(14)25-5)21(3)8-7-9-22(4,20(24)26-6)19(21)12-17(15)23/h10-11,13,19H,7-9,12H2,1-6H3/t19-,21-,22-/m1/s1
InChIKey: InChIKey=LLVBBOXSQXMTII-CEMLEFRQSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alvarez-Manzaneda, E., Chahboun, R., Cabrera, E., Alvarez, E., Manzaneda, R.A.-., Lachkar, M., Messouri, I. Tetrahedron Lett (2007) 48, 989-92
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) | 37.1 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 37.7 |
| 4 (C) | 46.8 |
| 5 (CH) | 44.1 |
| 6 (CH2) | 36.5 |
| 7 (C) | 197.1 |
| 8 (C) | 135.6 |
| 9 (C) | 155.6 |
| 10 (C) | 37.8 |
| 11 (CH) | 104.3 |
| 12 (C) | 161.8 |
| 13 (C) | 124.1 |
| 14 (CH) | 125.8 |
| 15 (CH) | 26.6 |
| 16 (CH3) | 22.4 |
| 17 (CH3) | 22.6 |
| 18 (C) | 177.8 |
| 19 (CH3) | 23.6 |
| 20 (CH3) | 16.5 |
| 12a (CH3) | 55.5 |
| 18a (CH3) | 52.2 |
