Spektraris NMR
Methyl 15-hydroxydehydroabietate
Common Name: Methyl 15-hydroxydehydroabietate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1
InChIKey: InChIKey=IGUDTNVZIOWVIV-DUXKGJEZSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alvarez-Manzaneda, E.J., Chahboun, R., Guardia, J.J., Lachkar, M., Dahdouh, A., Lara, A., Messouri, I. Tetrahedron Lett (2006) 47, 2577-80
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) | 36.7 |
| 2 (CH2) | 21.7 |
| 3 (CH2) | 38 |
| 4 (C) | 47.6 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 30.1 |
| 8 (C) | 134.7 |
| 9 (C) | 147.9 |
| 10 (C) | 37 |
| 11 (CH) | 124.1 |
| 12 (CH) | 122 |
| 13 (C) | 146.1 |
| 14 (CH) | 124.9 |
| 15 (C) | 72.2 |
| 16 (CH3) | 31.6 |
| 17 (CH3) | 31.6 |
| 18 (C) | 179.1 |
| 19 (CH3) | 24.8 |
| 20 (CH3) | 16.5 |
| 18a (CH3) | 51.9 |
