Spektraris NMR
(S)-5-Hydroxy-7,8-dimethoxy-2-phenylchroman-4-one
Common Name: (S)-5-Hydroxy-7,8-dimethoxy-2-phenylchroman-4-one
Synonyms: (S)-5-Hydroxy-7,8-dimethoxy-2-phenylchroman-4-one
CAS Registry Number:
InChI: InChI=1S/C17H16O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-7,9,13,19H,8H2,1-2H3/t13-/m0/s1
InChIKey: InChIKey=VPGMCCIECGDASG-ZDUSSCGKSA-N
Formula: C17H16O5
Molecular Weight: 300.306587
Exact Mass: 300.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamperdick C., Hong Van N., Van Sung T. Phytochemistry (2002) 61, 991-4
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) | 79.1 |
| 3 (CH2) | 43.3 |
| 4 (C) | 196 |
| 5 (C) | 159.9 |
| 6 (CH) | 93 |
| 7 (C) | 161.5 |
| 8 (C) | 129.8 |
| 9 (C) | 153.5 |
| 10 (C) | 102.9 |
| 1' (C) | 138.5 |
| 2' (CH) | 126 |
| 3' (CH) | 128.8 |
| 4' (CH) | 128.7 |
| 5' (CH) | 128.8 |
| 6' (CH) | 126 |
| 7a (CH3) | 56.2 |
| 8a (CH3) | 61.3 |
