Spektraris NMR
(4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one
Common Name: (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one
Synonyms: (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one
CAS Registry Number:
InChI: InChI=1S/C15H16O2/c1-2-13(11-6-4-3-5-7-11)14-10-12(16)8-9-15(14)17/h2-9,12-14,16H,1,10H2/t12-,13?,14-/m0/s1
InChIKey: InChIKey=RTLQJCZEXLLNLE-HPNRGHHYSA-N
Formula: C15H16O2
Molecular Weight: 228.2869
Exact Mass: 228.11503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Shrestha, S.P., Tezuka, Y., Ueda, J.Y., Matsushige, K., Kadota, S. J Nat Prod (2005) 68, 858-64
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids, Group : ; 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 |
|---|---|
| 2 (CH2) | 115.6 |
| 3 (CH) | 139.6 |
| 4 (CH) | 49.5 |
| 5 (CH2) | 34.9 |
| 6 (CH) | 63.7 |
| 7 (CH) | 149.6 |
| 8 (CH) | 128.9 |
| 9 (C) | 199.9 |
| 10 (CH) | 49.9 |
| 1' (C) | 141.2 |
| 2' (CH) | 128.9 |
| 3' (CH) | 127.9 |
| 4' (CH) | 126.9 |
| 5' (CH) | 127.9 |
| 6' (CH) | 128.9 |
