Spektraris NMR
12-Acetoxyabieta-8,11,13-triene-18-oic acid methyl ester
Common Name: 12-Acetoxyabieta-8,11,13-triene-18-oic acid methyl ester
Synonyms: 12-Acetoxyabieta-8,11,13-triene-18-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C23H32O4/c1-14(2)17-12-16-8-9-20-22(4,18(16)13-19(17)27-15(3)24)10-7-11-23(20,5)21(25)26-6/h12-14,20H,7-11H2,1-6H3/t20-,22-,23-/m1/s1
InChIKey: InChIKey=XLBOQTQJCHSDJO-YMPZKCBVSA-N
Formula: C23H32O4
Molecular Weight: 372.498649
Exact Mass: 372.23006
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) | 36.6 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 37.9 |
| 4 (C) | 47.6 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 21.6 |
| 7 (CH2) | 29.4 |
| 8 (C) | 132.9 |
| 9 (C) | 146.2 |
| 10 (C) | 37 |
| 11 (CH) | 117.8 |
| 12 (C) | 148.1 |
| 13 (C) | 137 |
| 14 (CH) | 127 |
| 15 (CH) | 27.1 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 23.1 |
| 18 (C) | 179 |
| 19 (CH3) | 25 |
| 20 (CH3) | 16.4 |
| 12a (C) | 169.9 |
| 12b (CH3) | 20.9 |
| 18a (CH3) | 51.9 |
