Spektraris NMR
Torilin
Common Name: Torilin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-8-12(2)21(25)26-20-9-13(3)16-11-19(24)14(4)17(16)10-18(20)22(6,7)27-15(5)23/h8,13,16,18,20H,9-11H2,1-7H3/b12-8-/t13-,16+,18-,20+/m0/s1
InChIKey: InChIKey=IQWVFAXBJQKUDH-TXCQZRSTSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kwak, Y.G., Kim, D.K., Ma, T.Z., Park, S.A., Park, H., Jung, Y.H., Yoo, D.J., Eun, J.S. Arch Pharm Res (2006) 29, 834-9
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 (CH) | 51.6 |
| 2 (CH2) | 41.6 |
| 3 (C) | 208.9 |
| 4 (C) | 135.4 |
| 5 (C) | 174.7 |
| 6 (CH2) | 26.2 |
| 7 (CH) | 46.7 |
| 8 (CH) | 71.1 |
| 9 (CH2) | 40.9 |
| 10 (CH) | 33.8 |
| 11 (C) | 84.8 |
| 12 (CH3) | 25 |
| 13 (CH3) | 24.4 |
| 14 (CH3) | 23.2 |
| 15 (CH3) | 8.5 |
| 8a (C) | 167.1 |
| 8b (C) | 128.1 |
| 8c (CH) | 138.7 |
| 8d (CH3) | 16.2 |
| 8e (CH3) | 21.1 |
| 11a (C) | 170.7 |
| 11b (CH3) | 23.1 |
