Spektraris NMR
E,Z-Incanic acid dimethyl ester
Common Name: E,Z-Incanic acid dimethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O3/c1-17(2)8-5-10-21(18(3)23)12-7-13-22(19(4)24)11-6-9-20-14-15-25-16-20/h8,11-12,14-16H,5-7,9-10,13H2,1-4H3/b21-12+,22-11+
InChIKey: InChIKey=YFUHWHBXSDOBIF-WRLOCBGSSA-N
Formula: C22H30O3
Molecular Weight: 342.472627
Exact Mass: 342.219495
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) | 141.99 |
| 2 (CH) | 110.75 |
| 3 (C) | 123.84 |
| 4 (CH2) | 24.02 |
| 5 (CH2) | 29.24 |
| 6 (CH) | 142.63 |
| 7 (C) | 132.49 |
| 8 (CH2) | 26.08 |
| 9 (CH2) | 26.9 |
| 10 (CH) | 141.46 |
| 11 (C) | 132.28 |
| 12 (CH2) | 28 |
| 13 (CH2) | 27.7 |
| 14 (CH) | 123.59 |
| 15 (C) | 131.99 |
| 16 (CH3) | 17.6 |
| 17 (CH3) | 25.6 |
| 18 (C) | 168.49 |
| 19 (C) | 167.86 |
| 20 (CH) | 139.05 |
| 18a (CH3) | 51.77 |
| 19a (CH3) | 51.7 |
