Spektraris NMR
(2S)-5,7-dimethoxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde
Common Name: (2S)-5,7-dimethoxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde
Synonyms: (2S)-5,7-dimethoxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-21-15-9-16(22-2)17-13(20)8-14(11-6-4-3-5-7-11)23-18(17)12(15)10-19/h3-7,9-10,14H,8H2,1-2H3/t14-/m0/s1
InChIKey: InChIKey=FHKQMPVRIQJSEJ-AWEZNQCLSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carcache-Blanco, E.J., Kang, Y.H., Park, E.J., Su, B.N., Kardono, L.B., Riswan, S., Fong, H.H., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2003) 66, 1197-202
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) | 79.4 |
| 3 (CH2) | 44.9 |
| 4 (C) | 188.5 |
| 5 (C) | 167 |
| 6 (CH) | 88.5 |
| 7 (C) | 166.5 |
| 8 (C) | 108.2 |
| 9 (C) | 166.7 |
| 10 (C) | 105.6 |
| 1' (C) | 138 |
| 2' (CH) | 128.9 |
| 3' (CH) | 128.7 |
| 4' (CH) | 125.8 |
| 5' (CH) | 128.7 |
| 6' (CH) | 128.9 |
| 5a (CH3) | 56.3 |
| 7a (CH3) | 56.4 |
| 8a (CH) | 186.7 |
