Spektraris NMR
13,14beta-Dihydroxyabieta-7-ene-18-oic acid
Common Name: 13,14beta-Dihydroxyabieta-7-ene-18-oic acid
Synonyms: 13,14beta-Dihydroxyabieta-7-ene-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-12(2)20(24)11-8-14-13(16(20)21)6-7-15-18(14,3)9-5-10-19(15,4)17(22)23/h6,12,14-16,21,24H,5,7-11H2,1-4H3,(H,22,23)/t14-,15+,16-,18+,19+,20-/m0/s1
InChIKey: InChIKey=KHCINMWJGBFDRH-AENSMRSESA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
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) | 36.8 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 39.1 |
| 4 (C) | 46.2 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 26.5 |
| 7 (CH) | 119.9 |
| 8 (C) | 137.8 |
| 9 (CH) | 44.5 |
| 10 (C) | 35.2 |
| 11 (CH2) | 19.2 |
| 12 (CH2) | 24.9 |
| 13 (C) | 76.4 |
| 14 (CH) | 73.1 |
| 15 (CH) | 33.12 |
| 16 (CH3) | 17.8 |
| 17 (CH3) | 18 |
| 18 (C) | 183.9 |
| 19 (CH3) | 15.1 |
| 20 (CH3) | 19.2 |
