Spektraris NMR
(2S)-2-(1-Phenyl-2-propenyl)-4alpha-hydroxy-5-methoxy-5-cyclohexene-1-one
Common Name: (2S)-2-(1-Phenyl-2-propenyl)-4alpha-hydroxy-5-methoxy-5-cyclohexene-1-one
Synonyms: (2S)-2-(1-Phenyl-2-propenyl)-4alpha-hydroxy-5-methoxy-5-cyclohexene-1-one
CAS Registry Number:
InChI: InChI=1S/C16H18O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-8,10,12-13,15,18H,1,9H2,2H3/t12?,13-,15-/m0/s1
InChIKey: InChIKey=UQILRTSQRHDSLK-MHEXWIEDSA-N
Formula: C16H18O3
Molecular Weight: 258.312923
Exact Mass: 258.125594
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) | 115.2 |
| 3 (CH) | 139.7 |
| 4 (CH) | 48.6 |
| 5 (CH2) | 31.9 |
| 6 (CH) | 65 |
| 7 (C) | 174.6 |
| 8 (CH) | 101.8 |
| 9 (C) | 199.1 |
| 10 (CH) | 47.5 |
| 1' (C) | 141.3 |
| 2' (CH) | 128.5 |
| 3' (CH) | 128.4 |
| 4' (CH) | 126.6 |
| 5' (CH) | 128.4 |
| 6' (CH) | 128.5 |
| 7a (CH3) | 56 |
