Spektraris NMR
comosone I
Common Name: comosone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9(2)14-11-7-10(3)5-6-12(11)15(4,17)8-13(14)16/h7,11-12,17H,5-6,8H2,1-4H3/t11-,12+,15+/m1/s1
InChIKey: InChIKey=UIBWDVKGBMMWPM-XUJVJEKNSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, F., Nakamura, S., Qu, Y., Matsuda, H., Pongpiriyadacha, Y., Wu, L., Yoshikawa, M. Chem Pharm Bull (2008) 56, 1710-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Amorphanes; 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) | 43.9 |
| 2 (CH2) | 23.5 |
| 3 (CH2) | 29.6 |
| 4 (C) | 134.8 |
| 5 (CH) | 121.6 |
| 6 (CH) | 36 |
| 7 (C) | 134.3 |
| 8 (C) | 203.4 |
| 9 (CH2) | 51.5 |
| 10 (C) | 72.9 |
| 11 (C) | 141.6 |
| 12 (CH3) | 22.4 |
| 13 (CH3) | 22.5 |
| 14 (CH3) | 23.7 |
| 15 (CH3) | 27.6 |
