Spektraris NMR
Galbanic acid
Common Name: Galbanic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O5/c1-15(2)19-9-5-16(3)24(4,20(19)10-11-22(25)26)14-28-18-8-6-17-7-12-23(27)29-21(17)13-18/h6-8,12-13,16,20H,5,9-11,14H2,1-4H3,(H,25,26)/t16-,20-,24-/m0/s1
InChIKey: InChIKey=CVWWNYPTZYQCSE-YFBXQHAESA-N
Formula: C24H30O5
Molecular Weight: 398.492909
Exact Mass: 398.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Tagliapietra, S., Nano, G.M., Jakupovic, J. Phytochemistry (1994) 35, 183-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, 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 (CH2) | 22 |
| 2 (CH2) | 31.9 |
| 3 (C) | 179.5 |
| 4 (C) | 126.2 |
| 5 (C) | 129.5 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 31.9 |
| 8 (CH) | 34.8 |
| 9 (C) | 40.7 |
| 10 (CH) | 42.6 |
| 11 (CH2) | 71.6 |
| 12 (CH3) | 16 |
| 13 (CH3) | 20.2 |
| 14 (CH3) | 20.2 |
| 15 (CH3) | 22.4 |
| 2' (C) | 161.3 |
| 3' (CH) | 113.1 |
| 4' (CH) | 143.5 |
| 5' (CH) | 128.6 |
| 6' (CH) | 112.8 |
| 7' (C) | 162.8 |
| 8' (CH) | 101.1 |
| 9' (C) | 155.9 |
| 10' (C) | 112.2 |
