Spektraris NMR
Taiwaniaquinol C
Common Name: Taiwaniaquinol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-11(2)12-15(23)14-13(16(24)17(12)26-6)20(5)9-7-8-19(3,4)18(20)21(14,25)10-22/h10-11,18,23-25H,7-9H2,1-6H3/t18-,20+,21-/m0/s1
InChIKey: InChIKey=SXTOFVDFNJJCGK-TYPHKJRUSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.I., Chien, S.C., Lee, S.M., Kuo, Y.H. Chem Pharm Bull (2003) 51, 1420-2
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) | 38.3 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 43.3 |
| 4 (C) | 34.4 |
| 5 (CH) | 72.2 |
| 6 (CH) | 200.7 |
| 7 (C) | 90.9 |
| 8 (C) | 119.4 |
| 9 (C) | 135.5 |
| 10 (C) | 45.4 |
| 11 (C) | 138.2 |
| 12 (C) | 146.6 |
| 13 (C) | 126.9 |
| 14 (C) | 147.4 |
| 15 (CH) | 26 |
| 16 (CH3) | 20.6 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 32.4 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 25.3 |
| 12a (CH3) | 62.1 |
