Spektraris NMR
ent-Abietic acid
Common Name: ent-Abietic acid
Synonyms: ent-Abietic acid
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m1/s1
InChIKey: InChIKey=RSWGJHLUYNHPMX-UMGGQSCQSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, T.S., Vargas, D., Franzblau, S.G., Fischer, N.H. Phytochemistry (1995) 38, 451-6
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) | 38.3 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 37.2 |
| 4 (C) | 46.4 |
| 5 (CH) | 44.9 |
| 6 (CH2) | 25.6 |
| 7 (CH) | 120.5 |
| 8 (C) | 135.6 |
| 9 (CH) | 51 |
| 10 (C) | 34.5 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 27.5 |
| 13 (C) | 145.2 |
| 14 (CH) | 122.5 |
| 15 (CH) | 34.9 |
| 16 (CH3) | 20.9 |
| 17 (CH3) | 21.4 |
| 18 (C) | 185.3 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 14 |
