Spektraris NMR
fern-9(11)-en-28-oic acid
Common Name: fern-9(11)-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19(2)20-9-12-24-29(7)16-13-21-22(28(29,6)17-18-30(20,24)25(31)32)10-11-23-26(3,4)14-8-15-27(21,23)5/h13,19-20,22-24H,8-12,14-18H2,1-7H3,(H,31,32)/t20-,22+,23+,24+,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=OIGJHYZHUIFETH-JKLWYVRFSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reynolds, W.F., McLean, S., Burke, S.J., Jacobs, H. Magn Reson Chem (2003) 39, 757-8
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) | 41.43 |
| 2 (CH2) | 19.52 |
| 3 (CH2) | 42.4 |
| 4 (C) | 33.62 |
| 5 (CH) | 44.86 |
| 6 (CH2) | 19.47 |
| 7 (CH2) | 17.98 |
| 8 (CH) | 40.09 |
| 9 (C) | 151.51 |
| 10 (C) | 38.05 |
| 11 (CH) | 115.36 |
| 12 (CH2) | 35.45 |
| 13 (C) | 37.2 |
| 14 (C) | 37.66 |
| 15 (CH2) | 30.84 |
| 16 (CH2) | 32.95 |
| 17 (C) | 53.92 |
| 18 (CH) | 54.08 |
| 19 (CH2) | 21.71 |
| 20 (CH2) | 29.59 |
| 21 (CH) | 60.15 |
| 22 (CH) | 31.57 |
| 23 (CH3) | 32.8 |
| 24 (CH3) | 21.67 |
| 25 (CH3) | 25.01 |
| 26 (CH3) | 15.41 |
| 27 (CH3) | 14.1 |
| 28 (C) | 180.84 |
| 29 (CH3) | 22.14 |
| 30 (CH3) | 22.97 |
