Spektraris NMR
Akenonic acid
Common Name: Akenonic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,20-23,30H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=XWVVPZWKCNXREE-VSQYQUPVSA-N
Formula: C29H44O3
Molecular Weight: 440.658949
Exact Mass: 440.329045
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wu, S.H., Yang, S.M., Wu, D.G., Cheng, Y.W., Peng, Q. Helv Chim Acta (2005) 88, 259-65
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.9 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 78 |
| 4 (C) | 39.2 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.1 |
| 8 (C) | 39.7 |
| 9 (CH) | 48 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 123 |
| 13 (C) | 144 |
| 14 (C) | 42 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.7 |
| 17 (C) | 46.9 |
| 18 (CH) | 47.8 |
| 19 (CH2) | 41.9 |
| 20 (C) | 149 |
| 21 (CH2) | 38.2 |
| 22 (CH2) | 30.2 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 16.3 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 26 |
| 28 (C) | 179.1 |
| 29 (CH2) | 106.8 |
