Spektraris NMR
a-{(3S*,4R*)-Tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]furan-3-yl}-1,3-benzodioxole-5-methanol
![a-{(3S*,4R*)-Tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]furan-3-yl}-1,3-benzodioxole-5-methanol](/nmr/static/nmr/svg/17398.svg)
Common Name: a-{(3S*,4R*)-Tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]furan-3-yl}-1,3-benzodioxole-5-methanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-23-18-7-12(2-4-16(18)21)6-14-9-24-10-15(14)20(22)13-3-5-17-19(8-13)26-11-25-17/h2-5,7-8,14-15,20-22H,6,9-11H2,1H3/t14-,15+,20?/m1/s1
InChIKey: InChIKey=WTGJOVWSHSCACR-FKTKBCEVSA-N
Formula: C20H22O6
Molecular Weight: 358.385844
Exact Mass: 358.141638
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pu, J.X., Xiao, W.L., Li, H.M., Huang, S.X., Li, S.H., Sun, H.D. Helv Chim Acta (2007) 90, 723-9
Species:
Notes: Family : Lignans, Type : Lignans, Group : 9-9-Monoepoxylignans; 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 |
|---|---|
| 1 (C) | 138.5 |
| 2 (CH) | 107.3 |
| 3 (C) | 148.4 |
| 4 (C) | 149.3 |
| 5 (CH) | 108.8 |
| 6 (CH) | 120.4 |
| 7 (CH) | 84 |
| 8 (CH) | 54.2 |
| 9 (CH2) | 60.5 |
| 1' (C) | 133.5 |
| 2' (CH) | 113.5 |
| 3' (C) | 149 |
| 4' (C) | 145.9 |
| 5' (CH) | 116.2 |
| 6' (CH) | 122.2 |
| 7' (CH2) | 33.6 |
| 8' (CH) | 43.9 |
| 9' (CH2) | 73.6 |
| 3a (CH2) | 102.3 |
| 3'a (CH3) | 56.4 |
