Spektraris NMR
3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan
Common Name: 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan
Synonyms: 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan
CAS Registry Number:
InChI: InChI=1S/C23H26O6/c1-23(2)11-10-15-16(29-23)12-17-18(20(15)25-3)21(26-4)22(27-5)19(28-17)13-6-8-14(24)9-7-13/h6-12,19,21-22,24H,1-5H3/t19-,21+,22-/m1/s1
InChIKey: InChIKey=KAMSUIMVPLJLGA-BAGYTPMASA-N
Formula: C23H26O6
Molecular Weight: 398.449815
Exact Mass: 398.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Borges-Argaez, R., Pena-Rodriguez, L.M., Waterman, P.G. Phytochemistry (2002) 60, 533-40
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanols; 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) | 75.4 |
| 3 (CH) | 82 |
| 4 (CH) | 68.6 |
| 5 (C) | 156 |
| 6 (C) | 108.3 |
| 7 (C) | 156 |
| 8 (CH) | 100.8 |
| 9 (C) | 156 |
| 10 (C) | 108.1 |
| 1' (C) | 131.5 |
| 2' (CH) | 129.5 |
| 3' (CH) | 115.5 |
| 4' (C) | 156 |
| 5' (CH) | 115.5 |
| 6' (CH) | 129.5 |
| 2'' (C) | 76.4 |
| 3'' (CH) | 128.3 |
| 4'' (CH) | 117.1 |
| 5'' (CH3) | 27.9 |
| 6'' (CH3) | 27.9 |
| 3a (CH3) | 58.4 |
| 4a (CH3) | 58.8 |
| 5a (CH3) | 63.1 |
