Spektraris NMR
Teuflin
Common Name: Teuflin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O5/c1-10-7-14-16-12(17(20)23-14)3-2-4-13(16)19(10)8-15(24-18(19)21)11-5-6-22-9-11/h5-6,9-10,13-15H,2-4,7-8H2,1H3/t10-,13+,14-,15+,19-/m1/s1
InChIKey: InChIKey=XJRMFKRYVTYFPN-NQFCYCSRSA-N
Formula: C19H20O5
Molecular Weight: 328.359822
Exact Mass: 328.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B., Jimeno, M.L. Magn Reson Chem (2004) 42, 605-16
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 23.61 |
| 2 (CH2) | 23.25 |
| 3 (CH2) | 18.64 |
| 4 (C) | 123.78 |
| 5 (C) | 166.24 |
| 6 (CH) | 76.64 |
| 7 (CH2) | 31.73 |
| 8 (CH) | 35.79 |
| 9 (C) | 50.96 |
| 10 (CH) | 43.05 |
| 11 (CH2) | 42.75 |
| 12 (CH) | 71.55 |
| 13 (C) | 124.21 |
| 14 (CH) | 107.83 |
| 15 (CH) | 144.26 |
| 16 (CH) | 139.86 |
| 17 (CH3) | 17.54 |
| 18 (C) | 173.63 |
| 20 (C) | 175.93 |
