Spektraris NMR
13-Epicupressic acid
Common Name: 13-Epicupressic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-6-18(3,23)13-10-15-14(2)8-9-16-19(15,4)11-7-12-20(16,5)17(21)22/h6,15-16,23H,1-2,7-13H2,3-5H3,(H,21,22)/t15-,16+,18-,19+,20-/m0/s1
InChIKey: InChIKey=LMODNMXJBXUOQF-ZRSLWSEBSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14
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) | 39.1 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 37.9 |
| 4 (C) | 44.1 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 26 |
| 7 (CH2) | 38.7 |
| 8 (C) | 148 |
| 9 (CH) | 56.4 |
| 10 (C) | 40.6 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 41.3 |
| 13 (C) | 73.8 |
| 14 (CH) | 144.7 |
| 15 (CH2) | 111.7 |
| 16 (CH3) | 27.9 |
| 17 (CH2) | 106.5 |
| 18 (CH3) | 28.9 |
| 19 (C) | 183.5 |
| 20 (CH3) | 12.7 |
