Spektraris NMR
Eupatolide
Common Name: Eupatolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5+,10-8+/t12-,13-,14-/m1/s1
InChIKey: InChIKey=PDEJECFRCJOMEN-OURLZOILSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Watanabe, K., Ohno, N., Yoshioka, H., Gershenzon, J., Mabry, T.J. Phytochemistry (1982) 21, 709-13
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) | 124 |
| 2 (CH2) | 26.5 |
| 3 (CH2) | 39.6 |
| 4 (C) | 141.8 |
| 5 (CH) | 123.8 |
| 6 (CH) | 75.7 |
| 7 (CH) | 54.3 |
| 8 (CH) | 71.4 |
| 9 (CH2) | 48.4 |
| 10 (C) | 140.3 |
| 11 (C) | 136.8 |
| 12 (C) | 170.9 |
| 13 (CH2) | 120 |
| 14 (CH3) | 19.9 |
| 15 (CH3) | 17.3 |
