Spektraris NMR
Methyl 14-hydroxyabieta-6,8,11,13-tetraen-18-oate
Common Name: Methyl 14-hydroxyabieta-6,8,11,13-tetraen-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O3/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/h7-10,13,17,22H,6,11-12H2,1-5H3/t17-,20-,21-/m1/s1
InChIKey: InChIKey=XLKAQVVAVDFORC-DUXKGJEZSA-N
Formula: C21H28O3
Molecular Weight: 328.44601
Exact Mass: 328.203845
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) | 35.5 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 35.6 |
| 4 (C) | 46.3 |
| 5 (CH) | 46.2 |
| 6 (CH) | 129.6 |
| 7 (CH) | 125.2 |
| 8 (C) | 119.8 |
| 9 (C) | 146.6 |
| 10 (C) | 37.6 |
| 11 (CH) | 114.2 |
| 12 (CH) | 121 |
| 13 (C) | 131.8 |
| 14 (C) | 148.4 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.8 |
| 18 (C) | 178.5 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 20.5 |
| 18a (CH3) | 52 |
