Spektraris NMR
Aulacomniumtriluteolin
Common Name: Aulacomniumtriluteolin
Synonyms: 4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-[3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-4,5-dihydroxyphenyl]-5,7-dihydroxy-
CAS Registry Number: 169238-35-1
InChI:
InChIKey:
Formula: C45H26O18
Molecular Weight: 854.685
Exact Mass: 854.1119
NMR Solvent: DMSO-d6
MHz: 400 (1H), 100 (13C)
Calibration: not indicated
NMR references: Hahn, H., Seeger, T., Geiger, H., Zinsmeister, H., Markham, K., Wong, H. (1995). The First Biaurone, a Triflavone and Biflavonoids from Two Aulacomnium Species. Phytochemistry 40, 573-576.
Species: Aulacomnium palustre - Hahn, H., Seeger, T., Geiger, H., Zinsmeister, H., Markham, K., Wong, H. (1995). The First Biaurone, a Triflavone and Biflavonoids from Two Aulacomnium Species. Phytochemistry 40, 573-576.
Notes: Coupling contants for 1H NMR not supplied.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.43 | s | |
| 6 | 5.96 | dm | |
| 8 | 6.16 | dm | |
| 2' | 7.3 | dm | |
| 6' | 7.46 | dm | |
| 3 | 6.35 | br s | |
| 6 | 6.32 | s | |
| 2' | 7.13 | dm | |
| 6' | 7.1 | br dm | |
| 3 | 6.53 | s | |
| 8 | 6.24 | br s | |
| 2' | 7.36 | dm | |
| 5' | 6.92 | do | |
| 6' | 7.34 | ddom |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 163.3 |
| 3 | 102.7 |
| 4 | 181.8 |
| 5 | 161.4 |
| 6 | 98.5 |
| 7 | 164.6 |
| 8 | 93.5 |
| 9 | 156.9 |
| 10 | 103.4 |
| 1' | 120.3 |
| 2' | 111.3 |
| 3' | 145.5 |
| 4' | 149.1 |
| 5' | 119.9 |
| 6' | 122 |
| 2 | 163.6 |
| 3 | 102.2 |
| 4 | 181.3 |
| 5 | 158.8 |
| 6 | 99.1 |
| 7 | 161.2 |
| 8 | 104.9 |
| 9 | 154.6 |
| 10 | 103.3 |
| 1' | 121.7 |
| 2' | 111.6 |
| 3' | 146.1 |
| 4' | 149.2 |
| 5' | 120.2 |
| 6' | 122.5 |
| 2 | 163.6 |
| 3 | 102.4 |
| 4 | 181.1 |
| 5 | 161.4 |
| 6 | 108.3 |
| 7 | 162.3 |
| 8 | 93.2 |
| 9 | 155.9 |
| 10 | 102.9 |
| 1' | 121.1 |
| 2' | 113.5 |
| 3' | 145.6 |
| 4' | 149.3 |
| 5' | 115.9 |
| 6' | 118.7 |
