Spektraris NMR
3β,4β-Dihydroxy-5-methoxy-(7,6:2'',3'')-6'',6''-dimethylpyranoflavan
Common Name: 3β,4β-Dihydroxy-5-methoxy-(7,6:2'',3'')-6'',6''-dimethylpyranoflavan
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O5/c1-21(2)10-9-13-14(26-21)11-15-16(20(13)24-3)17(22)18(23)19(25-15)12-7-5-4-6-8-12/h4-11,17-19,22-23H,1-3H3/t17-,18-,19+/m0/s1
InChIKey: InChIKey=DDLGTXKGHBSIRU-GBESFXJTSA-N
Formula: C21H22O5
Molecular Weight: 354.397175
Exact Mass: 354.146724
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) | 76.5 |
| 3 (CH) | 71.1 |
| 4 (CH) | 62.1 |
| 5 (C) | 155.6 |
| 6 (C) | 109.8 |
| 7 (C) | 157.4 |
| 8 (CH) | 100.7 |
| 9 (C) | 156.5 |
| 10 (C) | 106.8 |
| 1' (C) | 138.4 |
| 2' (CH) | 128.1 |
| 3' (CH) | 128.7 |
| 4' (CH) | 129 |
| 5' (CH) | 128.7 |
| 6' (CH) | 128.1 |
| 2'' (C) | 76.5 |
| 3'' (CH) | 128 |
| 4'' (CH) | 116.8 |
| 5'' (CH3) | 28 |
| 6'' (CH3) | 28 |
| 5a (CH3) | 63.5 |
