Spektraris NMR
Cryptomerin A
Common Name: Cryptomerin A
Synonyms: 4H-1-Benzopyran-4-one, 6-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-
CAS Registry Number: 22012-97-1
InChI:
InChIKey:
Formula: C31H20O10
Molecular Weight: 552.491
Exact Mass: 552.10565
NMR Solvent: DMSO-d6
MHz: 20.0
Calibration: not indicated
NMR references: Markham, K., Sheppard, C., Geiger, H. (1987). 13C NMR Studies of some naturally occurring Amentoflavone and Hinokiflavone Biflavonoids. Phytochemistry 26, 3335-3337.
Species: Taxodium distichum
Notes: Markham et al. only present 13C NMR data.
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (may be reversed with 2") | 163.7 |
| 3 (may be reversed with 3") | 103.9 |
| 4 (may be reversed with 4") | 181.7 |
| 5 (may be reversed with 7, 4', 4''') | 160.6 |
| 6 | 98.8 |
| 7 (may be reversed with 5, 4', 4''') | 161.4 |
| 8 | 94 |
| 9 (may be reversed with 7") | 157.3 |
| 10 | 103.8 |
| 1' (may be reversed with 6") | 124.2 |
| 2' | 128.3 |
| 3' | 115.3 |
| 4' (may be reversed with 5, 7, 4''') | 162.4 |
| 5' | 115.3 |
| 6' | 128.3 |
| 2" (may be reversed with 2) | 164.2 |
| 3" (may be reversed with 3) | 103.2 |
| 4" (may be reversed with 4) | 182 |
| 5" (may be reversed with 9") | 153.1 |
| 6" (may be reversed with 1') | 124.7 |
| 7" (may be reversed with 9) | 157.3 |
| 8" | 94.6 |
| 9" (may be reversed with 5") | 153.8 |
| 10" | 104.1 |
| 1''' | 122.8 |
| 2''' | 128.3 |
| 3''' | 114.6 |
| 4''' (may be reversed with 5, 7, 4') | 163.1 |
| 5''' | 114.6 |
| 6''' | 128.3 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.