Spektraris NMR
5'-hydroxy-3,4,7'-trimethoxy-4'h-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-chromen]-4'-one
![5'-hydroxy-3,4,7'-trimethoxy-4'h-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-chromen]-4'-one](/nmr/static/nmr/svg/14721.svg)
Common Name: 5'-hydroxy-3,4,7'-trimethoxy-4'h-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-chromen]-4'-one
Synonyms: 5'-hydroxy-3,4,7'-trimethoxy-4'h-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-chromen]-4'-one
CAS Registry Number:
InChI: InChI=1S/C19H18O6/c1-22-11-5-13(20)17-16(6-11)25-9-19(18(17)21)8-10-4-14(23-2)15(24-3)7-12(10)19/h4-7,20H,8-9H2,1-3H3
InChIKey: InChIKey=GTARHKGCDCSIQV-UHFFFAOYSA-N
Formula: C19H18O6
Molecular Weight: 342.343345
Exact Mass: 342.110338
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Mutanyatta, J., Matapa, B.G., Shushu, D.D., Abegaz, B.M. Phytochemistry (2003) 62, 797-804
Species:
Notes: Family : Flavonoids, Type : Homoisoflavonoids; 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 (CH2) | 73.9 |
| 3 (C) | 54.5 |
| 4 (C) | 194.1 |
| 5 (C) | 166.5 |
| 6 (CH) | 95.1 |
| 7 (C) | 168.4 |
| 8 (CH) | 94.1 |
| 9 (C) | 163.8 |
| 10 (C) | 102.4 |
| 11 (CH2) | 35.2 |
| 1' (C) | 134.3 |
| 2' (CH) | 108.8 |
| 3' (C) | 150.8 |
| 4' (C) | 152.1 |
| 5' (CH) | 107.1 |
| 6' (C) | 136 |
| 7a (CH3) | 55.8 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 56 |
