Spektraris NMR
Tarapacanone
Common Name: Tarapacanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O5/c1-14(23)26-13-17(25)22(6)12-15(24)18-20(4)10-7-9-19(2,3)16(20)8-11-21(18,5)27-22/h16-18,25H,7-13H2,1-6H3/t16-,17?,18?,20-,21+,22-/m0/s1
InChIKey: InChIKey=STLPKKQTDQJLCC-YNIHJBQMSA-N
Formula: C22H36O5
Molecular Weight: 380.519082
Exact Mass: 380.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhou, L., Fuentes, E.R., Hoffmann, J.J., Timmermann, B.N. Phytochemistry (1995) 40, 1201-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.8 |
| 4 (C) | 33.3 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 43.3 |
| 8 (C) | 75 |
| 9 (CH) | 67.6 |
| 10 (C) | 37.3 |
| 11 (C) | 206.3 |
| 12 (CH2) | 46.8 |
| 13 (C) | 77.2 |
| 14 (CH) | 75.9 |
| 15 (CH2) | 64.8 |
| 16 (CH3) | 27.1 |
| 17 (CH3) | 26.3 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 15.2 |
| 15a (C) | 171.3 |
| 15b (CH3) | 20.9 |
