Spektraris NMR
Evectic acid, 21-furan-heneicosa-5,7-diynoic acid
Common Name: Evectic acid, 21-furan-heneicosa-5,7-diynoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O3/c26-25(27)22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-24-21-19-23-28-24/h19,21,23H,1-7,9,11,13,15-18,20,22H2,(H,26,27)
InChIKey: InChIKey=TUQJMXYGPHWZQQ-UHFFFAOYSA-N
Formula: C25H36O3
Molecular Weight: 384.552479
Exact Mass: 384.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanokmedhakul, S., Kanokmedhakul, K., Ohtani, II, Isobe, M. Phytochemistry (1998) 47, 131-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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 (C) | 177.8 |
| 2 (CH2) | 32.4 |
| 3 (CH2) | 23.3 |
| 4 (CH2) | 18.6 |
| 5 (C) | 75.6 |
| 6 (C) | 66.4 |
| 7 (C) | 65 |
| 8 (C) | 78.1 |
| 9 (CH2) | 19.2 |
| 10 (CH2) | 28.3 |
| 11 (CH2) | 28.8 |
| 12 (CH2) | 29.1 |
| 13 (CH2) | 29.2 |
| 14 (CH2) | 29.3 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 29.5 |
| 17 (CH2) | 29.6 |
| 18 (CH2) | 29.1 |
| 19 (CH2) | 29.3 |
| 20 (CH2) | 28.1 |
| 21 (CH2) | 28 |
| 22 (C) | 156.6 |
| 23 (CH) | 104.4 |
| 24 (CH) | 110 |
| 25 (CH) | 140.6 |
