Spektraris NMR
Taiwaniaquinol A
Common Name: Taiwaniaquinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-11(2)13-16(23)14-12(9-22)19-20(3,4)7-6-8-21(19,5)15(14)18-17(13)24-10-25-18/h9,11-12,19,23H,6-8,10H2,1-5H3/t12-,19-,21+/m0/s1
InChIKey: InChIKey=WZYATGGRHPWBCT-VTOVKPRRSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, W.H., Fang, J.M., Cheng, Y.S. Phytochemistry (1995) 40, 871-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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) | 35.6 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 41.7 |
| 4 (C) | 34 |
| 5 (CH) | 61.5 |
| 6 (CH) | 205 |
| 7 (CH) | 54.5 |
| 8 (C) | 113.4 |
| 9 (C) | 132.3 |
| 10 (C) | 46.3 |
| 11 (C) | 135.2 |
| 12 (C) | 146.8 |
| 13 (C) | 116.7 |
| 14 (C) | 146 |
| 15 (CH) | 25.1 |
| 16 (CH3) | 21 |
| 17 (CH3) | 21.1 |
| 18 (CH3) | 34.4 |
| 19 (CH3) | 22 |
| 20 (CH3) | 22.4 |
| 11a (CH2) | 100.8 |
