Spektraris NMR
2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
Common Name: 2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
Synonyms: 2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
CAS Registry Number:
InChI: InChI=1S/C20H18O5/c1-11(2)3-4-12-5-14(16(22)8-15(12)21)18-6-13-7-19-20(24-10-23-19)9-17(13)25-18/h3,5-9,21-22H,4,10H2,1-2H3
InChIKey: InChIKey=SOYHFIGRYCLZKD-UHFFFAOYSA-N
Formula: C20H18O5
Molecular Weight: 338.354676
Exact Mass: 338.115424
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Shen, C.C., Lin, T.W., Huang, Y.L., Wan, S.T., Shien, B.J., Chen, C.C. J Nat Prod (2006) 69, 1237-40
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Benzofuranoids; 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) | 124.2 |
| 2 (CH) | 93.7 |
| 3 (C) | 145.3 |
| 4 (C) | 146.3 |
| 5 (CH) | 99.8 |
| 6 (C) | 149.4 |
| α (CH) | 104.5 |
| β (C) | 154.2 |
| 1' (C) | 110.6 |
| 2' (C) | 154.1 |
| 3' (CH) | 103.8 |
| 4' (C) | 156.4 |
| 5' (C) | 120.7 |
| 6' (CH) | 127.7 |
| 1'' (CH2) | 28.5 |
| 2'' (CH) | 124.3 |
| 3'' (C) | 131.9 |
| 4'' (CH3) | 17.8 |
| 5'' (CH3) | 25.9 |
| 3a (CH2) | 102 |
