Spektraris NMR
Triptohairic acid
Common Name: Triptohairic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O3/c1-12(2)16-10-14-6-7-17-13(3)15(20(22)23)8-9-21(17,4)18(14)11-19(16)24-5/h10-12,17H,6-9H2,1-5H3,(H,22,23)/t17-,21-/m0/s1
InChIKey: InChIKey=DJRFNRVSOMFEMZ-UWJYYQICSA-N
Formula: C21H26O4
Molecular Weight: 342.429533
Exact Mass: 342.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nakano, K., Yoshida, C., Furukawa, W., Takaishi, Y., Shishido, K. Phytochemistry (1998) 49, 1821-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Abietanes; 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) | 33.1 |
| 2 (CH2) | 23.9 |
| 3 (C) | 123.8 |
| 4 (C) | 149.4 |
| 5 (CH) | 46.6 |
| 6 (CH2) | 20 |
| 7 (CH2) | 24.5 |
| 8 (C) | 128.4 |
| 9 (C) | 145.7 |
| 10 (C) | 35.8 |
| 11 (CH) | 120.2 |
| 12 (C) | 155.1 |
| 13 (C) | 138.6 |
| 14 (CH) | 123.8 |
| 15 (CH) | 26.2 |
| 16 (CH3) | 23.9 |
| 17 (CH3) | 24 |
| 18 (C) | 174.2 |
| 19 (CH3) | 18.7 |
| 20 (CH3) | 22.6 |
| 12a (CH3) | 60.5 |
