Spektraris NMR
Isoozic acid
Common Name: Isoozic acid
Synonyms: Isoozic acid
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22)/t16-,17+,19+,20+/m1/s1
InChIKey: InChIKey=JEGUVXRNDRXUDN-UMGGQSCQSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martins, D., Hamerski, L., Alvarenga, S.A.V., Roque, N.F. Phytochemistry (1999) 51, 813-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 37.8 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 37.1 |
| 4 (C) | 47.5 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 26.8 |
| 7 (CH2) | 37.8 |
| 8 (C) | 147.8 |
| 9 (CH) | 56.4 |
| 10 (C) | 38.8 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 30.1 |
| 13 (C) | 146.9 |
| 14 (CH) | 139 |
| 15 (CH2) | 113.2 |
| 16 (CH2) | 115.6 |
| 17 (CH2) | 107 |
| 18 (C) | 185.3 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 14.7 |
