Spektraris NMR
9-epi-7,15-ent-Isopimaradiene-17-oic acid
Common Name: 9-epi-7,15-ent-Isopimaradiene-17-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-5-20(17(21)22)12-9-15-14(13-20)7-8-16-18(2,3)10-6-11-19(15,16)4/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16-,19+,20+/m1/s1
InChIKey: InChIKey=WVXROCNFAQJVAO-YKCBXCCJSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chamy, M.C., Piovano, M., Garbarino, J.A., Gambaro, V., Miranda, C. Phytochemistry (1989) 28, 571-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 36.8 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 43 |
| 4 (C) | 32.9 |
| 5 (CH) | 43.5 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 121.9 |
| 8 (C) | 134.7 |
| 9 (CH) | 52.8 |
| 10 (C) | 35.2 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 33.5 |
| 13 (C) | 49.8 |
| 14 (CH2) | 44.1 |
| 15 (CH) | 138.9 |
| 16 (CH2) | 116.6 |
| 17 (C) | 182.2 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 22.7 |
