Spektraris NMR
Fernene
Common Name: Fernene
Synonyms: Fernene
CAS Registry Number:
InChI: InChI=1S/C30H50/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/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24+,25-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=ZHDRLFGZQZCZKX-BQOUFORSSA-N
Formula: C30H50
Molecular Weight: 410.719115
Exact Mass: 410.391252
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shiojima, K., Sasaki, Y., Ageta, H. Chem Pharm Bull (1993) 41, 268-71
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) | 41.5 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 42.4 |
| 4 (C) | 33.6 |
| 5 (CH) | 44.9 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 17.9 |
| 8 (CH) | 40 |
| 9 (C) | 151.7 |
| 10 (C) | 38.1 |
| 11 (CH) | 115.6 |
| 12 (CH2) | 36.8 |
| 13 (C) | 36.7 |
| 14 (C) | 37.7 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 36.2 |
| 17 (C) | 43 |
| 18 (CH) | 52 |
| 19 (CH2) | 20.2 |
| 20 (CH2) | 28.2 |
| 21 (CH) | 59.7 |
| 22 (CH) | 30.8 |
| 23 (CH3) | 32.8 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 25.1 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 15.4 |
| 28 (CH3) | 14 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 23 |
