Spektraris NMR
guaianolide hololeucin
Common Name: guaianolide hololeucin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O9/c1-8-4-12(26-17(23)9(2)6-21)14-10(3)18(24)28-16(14)15-11(8)5-13-20(15,7-22)29-19(25)27-13/h11-16,21-22H,1-7H2/t11-,12-,13-,14+,15-,16-,20-/m0/s1
InChIKey: InChIKey=XNSQXEYGZOWTDK-SGRBUWKTSA-N
Formula: C20H22O9
Molecular Weight: 406.384059
Exact Mass: 406.126382
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosselli, S., Maggio, A., Bellone, G., Bruno, M. Tetrahedron Lett (2006) 47, 7047-50
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 47.12 |
| 2 (CH2) | 37.94 |
| 3 (CH) | 85.13 |
| 4 (C) | 95.65 |
| 5 (CH) | 52.68 |
| 6 (CH) | 77.32 |
| 7 (CH) | 47.53 |
| 8 (CH) | 75.45 |
| 9 (CH2) | 44.5 |
| 10 (C) | 144.7 |
| 11 (C) | 138.48 |
| 12 (C) | 169.89 |
| 13 (CH2) | 124.43 |
| 14 (CH2) | 118.04 |
| 15 (CH2) | 65.38 |
| 3a (C) | 155.36 |
| 8a (C) | 166.09 |
| 8b (C) | 142.57 |
| 8c (CH2) | 61.92 |
| 8d (CH2) | 125.62 |
