Spektraris NMR
E,E-Incanic acid
Common Name: E,E-Incanic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-15(2)6-3-8-17(19(21)22)10-5-11-18(20(23)24)9-4-7-16-12-13-25-14-16/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,21,22)(H,23,24)/b17-10+,18-9+
InChIKey: InChIKey=QZDPUYWKZQBXTJ-SCNFBCNRSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
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) | 143.03 |
| 2 (CH) | 110.76 |
| 3 (C) | 123.48 |
| 4 (CH2) | 23.9 |
| 5 (CH2) | 29.49 |
| 6 (CH) | 145.28 |
| 7 (C) | 132.4 |
| 8 (CH2) | 25.63 |
| 9 (CH2) | 26.6 |
| 10 (CH) | 144.06 |
| 11 (C) | 131.04 |
| 12 (CH2) | 28.21 |
| 13 (CH2) | 27.7 |
| 14 (CH) | 123.69 |
| 15 (C) | 132.07 |
| 16 (CH3) | 17.62 |
| 17 (CH3) | 25.63 |
| 18 (C) | 173.42 |
| 19 (C) | 173.05 |
| 20 (CH) | 139.08 |
