Spektraris NMR
Fern-7-ene
Common Name: Fern-7-ene
Synonyms: Fern-7-ene
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/h11,20-22,24-25H,9-10,12-19H2,1-8H3/t21-,22+,24+,25-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=NYHSEYGDWZMIEZ-YGQXTZRHSA-N
Formula: C30H50
Molecular Weight: 410.719115
Exact Mass: 410.391252
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Masuda K., Kamaya R., Ikegami S., Ikeshima Y., Ageta H. Chem Pharm Bull (1989) 37, 1673
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) | 38.7 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 42.5 |
| 4 (C) | 33.2 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 116.3 |
| 8 (C) | 145.4 |
| 9 (CH) | 51.6 |
| 10 (C) | 35.6 |
| 11 (CH2) | 16.1 |
| 12 (CH2) | 32.5 |
| 13 (C) | 36.1 |
| 14 (C) | 41.6 |
| 15 (CH2) | 30.4 |
| 16 (CH2) | 36.4 |
| 17 (C) | 42.9 |
| 18 (C) | 54.2 |
| 19 (CH2) | 20.1 |
| 20 (CH2) | 28.3 |
| 21 (CH) | 59.7 |
| 22 (CH) | 30.7 |
| 23 (CH3) | 32.9 |
| 24 (CH3) | 21.2 |
| 25 (CH3) | 12.9 |
| 26 (CH3) | 24.1 |
| 27 (CH3) | 21.1 |
| 28 (CH3) | 14.1 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 23 |
