Spektraris NMR
Junicedric acid
Common Name: Junicedric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13-9-10-16-19(3,11-6-12-20(16,4)18(23)24)15(13)8-5-7-14(2)17(21)22/h14-16H,1,5-12H2,2-4H3,(H,21,22)(H,23,24)/t14-,15-,16+,19+,20-/m0/s1
InChIKey: InChIKey=GMCGDDUIOWEOGG-GPEJODLCSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Momosaki, S., Watanabe, Y., Toyota, M., Huneck, S. Phytochemistry (1996) 41, 207-11
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) | 19.9 |
| 3 (CH2) | 37.9 |
| 4 (C) | 44.2 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 26 |
| 7 (CH2) | 38.7 |
| 8 (C) | 147.9 |
| 9 (CH) | 56.5 |
| 10 (C) | 40.5 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 36.8 |
| 13 (CH2) | 31.1 |
| 14 (CH) | 41.6 |
| 15 (C) | 179.8 |
| 16 (CH3) | 21.1 |
| 17 (CH2) | 106.6 |
| 18 (CH3) | 28.9 |
| 19 (C) | 184.1 |
| 20 (CH3) | 12.9 |
