Spektraris NMR
Garberic acid
Common Name: Garberic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13(2)16-9-7-15(4)17(8-6-14(3)12-19(23)24)20(16,5)11-10-18(21)22/h7,14,16-17H,1,6,8-12H2,2-5H3,(H,21,22)(H,23,24)/t14-,16+,17+,20+/m0/s1
InChIKey: InChIKey=QWRPJDGRCGZWSK-CNVJLJKISA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tak, H., Fronczek, F.R., Fischer, N.H. Phytochemistry (1995) 40, 185-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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 (CH) | 47.1 |
| 2 (C) | 135.7 |
| 3 (CH) | 121.7 |
| 4 (CH2) | 28.9 |
| 5 (CH) | 48.8 |
| 6 (C) | 38.7 |
| 7 (CH2) | 29.4 |
| 8 (CH2) | 38.6 |
| 9 (CH) | 31.1 |
| 10 (CH2) | 41.2 |
| 11 (C) | 179.6 |
| 12 (CH2) | 25.4 |
| 13 (CH2) | 32.2 |
| 14 (C) | 180.7 |
| 15 (CH3) | 16 |
| 16 (C) | 147.4 |
| 17 (CH2) | 113.8 |
| 18 (CH3) | 22.8 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 19.7 |
