Spektraris NMR
E,E-Incanic acid dimethyl ester
Common Name: E,E-Incanic acid dimethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-17(2)8-5-10-19(21(23)25-3)12-7-13-20(22(24)26-4)11-6-9-18-14-15-27-16-18/h8,11-12,14-16H,5-7,9-10,13H2,1-4H3/b19-12+,20-11-
InChIKey: InChIKey=RHYBSUZKHZEFTF-XJLUXGSESA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Galal, A.M., Abdel-Sattar, E., El-Feraly, F.S., Mossa, J.S., Meselhy, M.R., Kadota, S., Namba, T. Phytochemistry (1998) 48, 159-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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 (CH) | 142.93 |
| 2 (CH) | 110.81 |
| 3 (C) | 123.45 |
| 4 (CH2) | 26.9 |
| 5 (CH2) | 29.03 |
| 6 (CH) | 142.39 |
| 7 (C) | 131.88 |
| 8 (CH2) | 24.08 |
| 9 (CH2) | 29.09 |
| 10 (CH) | 140.51 |
| 11 (C) | 132.28 |
| 12 (CH2) | 34.7 |
| 13 (CH2) | 27.7 |
| 14 (CH) | 123.38 |
| 15 (C) | 132.28 |
| 16 (CH3) | 17.61 |
| 17 (CH3) | 25.7 |
| 18 (C) | 168.34 |
| 19 (C) | 168.04 |
| 20 (CH) | 139.05 |
| 18a (CH3) | 51.74 |
| 19a (CH3) | 51.13 |
