Spektraris NMR
Filicene
Common Name: Filicene
Synonyms: Filicene
CAS Registry Number:
InChI: InChI=1S/C30H50/c1-20(2)22-12-13-24-27(22,5)16-18-30(8)25-14-15-26(4)21(3)10-9-11-23(26)28(25,6)17-19-29(24,30)7/h10,20,22-25H,9,11-19H2,1-8H3/t22-,23-,24-,25+,26-,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=KETZXRQFCKBMKO-GAOOKYTESA-N
Formula: C30H50
Molecular Weight: 410.719115
Exact Mass: 410.391252
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tsuzuki, K., Ohashi, A., Arai, Y., Masuda, K., Takano, A., Shiojima, K., Ageta, H., Cai, S.Q. Phytochemistry (2001) 58, 363-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Filicanes; 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) | 17.5 |
| 2 (CH2) | 27.22 |
| 3 (CH) | 120.3 |
| 4 (C) | 144.33 |
| 5 (C) | 38.44 |
| 6 (CH2) | 38.73 |
| 7 (CH2) | 18.27 |
| 8 (CH) | 49.36 |
| 9 (C) | 37.62 |
| 10 (CH) | 57.16 |
| 11 (CH2) | 35.2 |
| 12 (CH2) | 28.47 |
| 13 (C) | 39.06 |
| 14 (C) | 40.22 |
| 15 (CH2) | 29.13 |
| 16 (CH2) | 35.66 |
| 17 (C) | 42.77 |
| 18 (CH) | 51.76 |
| 19 (CH2) | 19.93 |
| 20 (CH2) | 28.42 |
| 21 (CH) | 60.09 |
| 22 (CH) | 30.77 |
| 23 (CH3) | 17.94 |
| 24 (CH3) | 20.65 |
| 25 (CH3) | 20.61 |
| 26 (CH3) | 16.08 |
| 27 (CH3) | 15.65 |
| 28 (CH3) | 16.34 |
| 29 (CH3) | 21.95 |
| 30 (CH3) | 22.91 |
