Spektraris NMR
7,9(11)-Fernadiene
Common Name: 7,9(11)-Fernadiene
Synonyms: 7,9(11)-Fernadiene
CAS Registry Number:
InChI: InChI=1S/C30H48/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h11,14,20-21,24-25H,9-10,12-13,15-19H2,1-8H3/t21-,24+,25-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=PTWDXFXWKUNEOH-CXJLZJCISA-N
Formula: C30H48
Molecular Weight: 408.703233
Exact Mass: 408.375602
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 : Fernanes; 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) | 37.44 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 42.46 |
| 4 (C) | 33.35 |
| 5 (CH) | 48.54 |
| 6 (CH2) | 24.25 |
| 7 (CH) | 117.37 |
| 8 (C) | 146.24 |
| 9 (C) | 140 |
| 10 (C) | 33.35 |
| 11 (CH) | 113.27 |
| 12 (CH2) | 37.51 |
| 13 (C) | 36.86 |
| 14 (C) | 40.17 |
| 15 (CH2) | 28.56 |
| 16 (CH2) | 36.19 |
| 17 (C) | 43.08 |
| 18 (CH) | 52.32 |
| 19 (CH2) | 20.15 |
| 20 (CH2) | 28.32 |
| 21 (CH) | 59.68 |
| 22 (CH) | 48.57 |
| 23 (CH3) | 30.76 |
| 24 (CH3) | 22.07 |
| 25 (CH3) | 22.14 |
| 26 (CH3) | 20.89 |
| 27 (CH3) | 16.62 |
| 28 (CH3) | 14.03 |
| 29 (CH3) | 23.01 |
| 30 (CH3) | 20.41 |
