Spektraris NMR
Eremophilenolide
Common Name: Eremophilenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h9,11,13H,4-8H2,1-3H3/t9-,11+,13-,15+/m0/s1
InChIKey: InChIKey=AEQDXSFIHGWHDV-XPGAZNKBSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Goto, Y., Kojima, Y., Nakayama, T., Terazawa, M. Phytochemistry (2001) 57, 103-13
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 26.7 |
| 2 (CH2) | 20.6 |
| 3 (CH2) | 30.7 |
| 4 (CH) | 30 |
| 5 (C) | 40 |
| 6 (CH2) | 36.5 |
| 7 (C) | 161.2 |
| 8 (CH) | 80.5 |
| 9 (CH2) | 35.1 |
| 10 (CH) | 40.3 |
| 11 (C) | 120.6 |
| 12 (C) | 175 |
| 13 (CH3) | 8.3 |
| 14 (CH3) | 21.6 |
| 15 (CH3) | 16 |
