Spektraris NMR
3β-Acetoxy-4b,5-dimethoxy-(7,6:2',3')-6'',6''-dimethylpyranoflavan
Common Name: 3β-Acetoxy-4b,5-dimethoxy-(7,6:2',3')-6'',6''-dimethylpyranoflavan
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H26O6/c1-14(25)28-23-20(15-9-7-6-8-10-15)29-18-13-17-16(11-12-24(2,3)30-17)21(26-4)19(18)22(23)27-5/h6-13,20,22-23H,1-5H3/t20-,22+,23-/m1/s1
InChIKey: InChIKey=VXFBYUPAYGKAMH-AKIFATBCSA-N
Formula: C24H26O6
Molecular Weight: 410.460551
Exact Mass: 410.172939
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) | 74.6 |
| 3 (CH) | 73.5 |
| 4 (CH) | 70 |
| 5 (C) | 156 |
| 6 (C) | 108.7 |
| 7 (C) | 155.3 |
| 8 (CH) | 100.4 |
| 9 (C) | 155.9 |
| 10 (C) | 107.5 |
| 1' (C) | 137.6 |
| 2' (CH) | 128 |
| 3' (CH) | 128.5 |
| 4' (CH) | 128.9 |
| 5' (CH) | 128.5 |
| 6' (CH) | 128 |
| 2'' (C) | 76.5 |
| 3'' (CH) | 128.4 |
| 4'' (CH) | 117 |
| 5'' (CH3) | 28 |
| 6'' (CH3) | 28 |
| 3a (C) | 169.8 |
| 3b (CH3) | 21 |
| 4a (CH3) | 59 |
| 5a (CH3) | 63.1 |
