Spektraris NMR
Sesquiterpene EQ-I
Common Name: Sesquiterpene EQ-I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12+,13-,15-/m1/s1
InChIKey: InChIKey=RYQABBMOWVCVPW-CMFZEQLMSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hubert, T.D., Okunade, A.L., Wiemer, D.F. Phytochemistry (1987) 26, 1751-3
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) | 126 |
| 2 (CH2) | 22.6 |
| 3 (CH2) | 36.4 |
| 4 (C) | 59.8 |
| 5 (CH) | 61.7 |
| 6 (CH2) | 34.6 |
| 7 (CH) | 40.9 |
| 8 (CH) | 80.2 |
| 9 (CH2) | 41 |
| 10 (C) | 131.1 |
| 11 (C) | 138.7 |
| 12 (C) | 169.3 |
| 13 (CH2) | 123.2 |
| 14 (CH3) | 18.5 |
| 15 (CH3) | 15.4 |
