Spektraris NMR
Carinoside D
Common Name: Carinoside D
Synonyms: D-xylo-Hexitol, 1,1'-oxybis[2,5-anhydro-1-deoxy-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-, (2ξ,2'ξ)-
CAS Registry Number: 1702430-64-5
InChI:
InChIKey:
Formula: C44H42O21
Molecular Weight: 906.799
Exact Mass: 906.2219
NMR Solvent: DMSO-d6
MHz: 500 (1H), 125 (13C)
Calibration: TMS
NMR references: Bao, B., Wang, Q., Wu, X., Tai, W. (2015). The isolation and structural elucidation of three new biflavonoid glycosides from Lomatogonium carinthiacum. Nat. Prod. Res. 29, 1358-1362.
Species: Lomatogonium carinthiacum - Bao, B., Wang, Q., Wu, X., Tai, W. (2015). The isolation and structural elucidation of three new biflavonoid glycosides from Lomatogonium carinthiacum. Nat. Prod. Res. 29, 1358-1362.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.74 | s | |
| 8 | 6.8 | s | |
| 11 | 4.58 | d | 9 |
| 2' | 7.46 | d | 8.5 |
| 5' | 6.91 | d | 8.5 |
| 6' | 7.45 | d | 8.5 |
| Araf-1 | 4 | brd | 9 |
| Araf-2 | 3.19 | m | |
| Araf-3 | 3.09 | m | |
| Araf-4 | 3.14 | m | |
| Araf-5 | 3.69 | m | |
| Araf-5 | 3.38 | m | |
| 7-OCH3 | 3.89 | s | |
| 3" | 6.67 | s | |
| 8" | 6.52 | s | |
| 11" | 4.57 | d | 9 |
| 2''' | 7.46 | d | 8.5 |
| 5''' | 6.91 | d | 8.5 |
| 6''' | 7.45 | d | 8.5 |
| Araf-1' | 4.17 | not indicated | |
| Araf-2' | 3.2 | m | |
| Araf-3' | 3.09 | m | |
| Araf-4' | 3.16 | m | |
| Araf-5' | 3.67 | m | |
| Araf-5' | 3.36 | m | |
| 7"-OCH3 | 3.88 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 164.4 |
| 3 | 103.5 |
| 4 | 182.3 |
| 5 | 160.7 |
| 6 | 110.1 |
| 7 | 163.9 |
| 8 | 90.6 |
| 9 | 157.2 |
| 10 | 104.6 |
| 11 | 73.1 |
| 1' | 121.7 |
| 2' | 114 |
| 3' | 150.4 |
| 4' | 146.3 |
| 5' | 116.5 |
| 6' | 119.5 |
| Araf-1 | 70.6 |
| Araf-2 | 79.5 |
| Araf-3 | 71.3 |
| Araf-4 | 82.1 |
| Araf-5 | 62.2 |
| 7-OCH3 | 56.9 |
| 2" | 164 |
| 3" | 103.2 |
| 4" | 182.3 |
| 5" | 160 |
| 6" | 110 |
| 7" | 164.2 |
| 8" | 94 |
| 9" | 156.7 |
| 10" | 103.8 |
| 11" | 73.1 |
| 1''' | 121.8 |
| 2''' | 113.8 |
| 3''' | 150.2 |
| 4''' | 146.2 |
| 5''' | 116.5 |
| 6''' | 119.5 |
| Araf-1' | 70.1 |
| Araf-2' | 79.4 |
| Araf-3' | 71.1 |
| Araf-4' | 82 |
| Araf-5' | 61.9 |
| 7"-OCH3 | 56.7 |
