Spektraris NMR
5,7-Dihydroxy 3',4'-dimethoxyspiro[chroman-3,7'-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one
![5,7-Dihydroxy 3',4'-dimethoxyspiro[chroman-3,7'-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one](/nmr/static/nmr/svg/14720.svg)
Common Name: 5,7-Dihydroxy 3',4'-dimethoxyspiro[chroman-3,7'-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one
Synonyms: 5,7-Dihydroxy 3',4'-dimethoxyspiro[chroman-3,7'-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-22-13-3-9-7-18(11(9)6-14(13)23-2)8-24-15-5-10(19)4-12(20)16(15)17(18)21/h3-6,19-20H,7-8H2,1-2H3
InChIKey: InChIKey=MKPGLCWEMPNQKG-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: CD3OD
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) | 73.7 |
| 3 (C) | 54.4 |
| 4 (C) | 196.1 |
| 5 (C) | 162.8 |
| 6 (CH) | 95.3 |
| 7 (C) | 164.9 |
| 8 (CH) | 92.5 |
| 9 (C) | 163.9 |
| 10 (C) | 100.7 |
| 11 (CH2) | 35.3 |
| 1' (C) | 134.6 |
| 2' (CH) | 108.5 |
| 3' (C) | 151.5 |
| 4' (C) | 150.3 |
| 5' (CH) | 106.7 |
| 6' (C) | 136.3 |
| 3'a (CH3) | 55.9 |
| 4'a (CH3) | 55.9 |
