Spektraris NMR
Eupatoriopicrin
Common Name: Eupatoriopicrin
Synonyms: Eupatoriopicrin
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-12-5-4-6-13(2)10-17(26-20(24)15(11-22)7-8-21)18-14(3)19(23)25-16(18)9-12/h6-7,9,16-18,21-22H,3-5,8,10-11H2,1-2H3/b12-9+,13-6+,15-7+/t16-,17-,18+/m1/s1
InChIKey: InChIKey=VWJYWGYJIDQUEG-DKDOXNMLSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Hernandez, Z.N.J., Catalan, C.A.N., Hernandez, L.R., Guerra-Ramirez, D., Joseph-Nathan, P. Phytochemistry (1999) 51, 79-82
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 130.9 |
| 2 (CH2) | 26.2 |
| 3 (CH2) | 39.4 |
| 4 (C) | 142.7 |
| 5 (CH) | 127.2 |
| 6 (CH) | 75.8 |
| 7 (CH) | 52.8 |
| 8 (CH) | 72.5 |
| 9 (CH2) | 44 |
| 10 (C) | 134 |
| 11 (C) | 136.6 |
| 12 (C) | 169.8 |
| 13 (CH2) | 121.3 |
| 14 (CH3) | 19.1 |
| 15 (CH3) | 17.5 |
| 8a (C) | 165.8 |
| 8b (C) | 131.8 |
| 8c (CH) | 144.3 |
| 8d (CH2) | 59.1 |
| 8ba (CH2) | 57.3 |
