Spektraris NMR
(2R)-2-(1-Phenyl-2-propenyl)-4beta-hydroxy-5-cyclohexene-1-one
Common Name: (2R)-2-(1-Phenyl-2-propenyl)-4beta-hydroxy-5-cyclohexene-1-one
Synonyms: (2R)-2-(1-Phenyl-2-propenyl)-4beta-hydroxy-5-cyclohexene-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-SMEJFCCLSA-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) | 118.5 |
| 3 (CH) | 135.9 |
| 4 (CH) | 46.9 |
| 5 (CH2) | 34.2 |
| 6 (CH) | 67.9 |
| 7 (CH) | 152.2 |
| 8 (CH) | 129.4 |
| 9 (C) | 197.9 |
| 10 (CH) | 50.7 |
| 1' (C) | 142.5 |
| 2' (CH) | 128.5 |
| 3' (CH) | 128.1 |
| 4' (CH) | 126.5 |
| 5' (CH) | 128.1 |
| 6' (CH) | 128.5 |
