Spektraris NMR
3-(3-Hydroxy-2,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde
Common Name: 3-(3-Hydroxy-2,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde
Synonyms: 3-(3-Hydroxy-2,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde
CAS Registry Number:
InChI: InChI=1S/C18H18O6/c1-22-15-6-4-12(18(23-2)16(15)21)11-7-10-3-5-14(20)13(8-19)17(10)24-9-11/h3-6,8,11,20-21H,7,9H2,1-2H3
InChIKey: InChIKey=FMXXSCCPPMTPLD-UHFFFAOYSA-N
Formula: C18H18O6
Molecular Weight: 330.332609
Exact Mass: 330.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lambert, M., Staerk, D., Hansen, S.H., Sairafianpour, M., Jaroszewski, J.W. J Nat Prod (2005) 68, 1500-9
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanes; 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) | 70.9 |
| 3 (CH) | 31.5 |
| 4 (CH2) | 30.8 |
| 5 (CH) | 106.4 |
| 6 (CH) | 109 |
| 7 (C) | 161.9 |
| 8 (C) | 110.4 |
| 9 (C) | 157 |
| 10 (C) | 112.6 |
| 1' (C) | 126.6 |
| 2' (C) | 145.3 |
| 3' (C) | 138.8 |
| 4' (C) | 147 |
| 5' (CH) | 138.9 |
| 6' (CH) | 116.9 |
| 1'' (CH) | 194.3 |
| 2'a (CH3) | 61 |
| 4'a (CH3) | 56.3 |
