Spektraris NMR
Taraxacin
Common Name: Taraxacin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H14O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,13H,5H2,1-3H3/t13-/m0/s1
InChIKey: InChIKey=BAHMQESJBKGPTE-ZDUSSCGKSA-N
Formula: C15H14O3
Molecular Weight: 242.270424
Exact Mass: 242.094294
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmad, V.U., Yasmeen, S., Ali, Z., Khan, M.A., Choudhary, M.I., Akhtar, F., Miana, G.A., Zahid, M. J Nat Prod (2000) 63, 1010-1
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 128.4 |
| 2 (C) | 194.2 |
| 3 (CH) | 134.2 |
| 4 (C) | 143.7 |
| 5 (C) | 161.5 |
| 6 (CH) | 111.1 |
| 7 (C) | 154.7 |
| 8 (CH) | 76.9 |
| 9 (CH2) | 41.2 |
| 10 (C) | 147.3 |
| 11 (C) | 124.3 |
| 12 (C) | 173.4 |
| 13 (CH3) | 8.9 |
| 14 (CH3) | 22.1 |
| 15 (CH3) | 14.3 |
