Spektraris NMR
Neocurcumenol
Common Name: Neocurcumenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h11,16H,5-8H2,1-4H3/t11-,14-,15-/m0/s1
InChIKey: InChIKey=JWRBAZYQWTVQSD-CQDKDKBSSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsuda, H., Morikawa, T., Toguchida, I., Ninomiya, K., Yoshikawa, M. Chem Pharm Bull (2001) 49, 1558-66
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 137.6 |
| 2 (CH2) | 23.4 |
| 3 (CH2) | 29.8 |
| 4 (CH) | 39.4 |
| 5 (C) | 86.4 |
| 6 (CH2) | 44.3 |
| 7 (C) | 126.5 |
| 8 (C) | 104.1 |
| 9 (CH2) | 42.4 |
| 10 (C) | 123.5 |
| 11 (C) | 136.2 |
| 12 (CH3) | 19.4 |
| 13 (CH3) | 22.6 |
| 14 (CH3) | 18.3 |
| 15 (CH3) | 15 |
