Spektraris NMR
Mearnsitrin
Common Name: Mearnsitrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1
InChIKey: InChIKey=NAQNISJXKDSYJD-DHWIRCOFSA-N
Formula: C22H22O12
Molecular Weight: 478.403745
Exact Mass: 478.111126
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Seidel, V., Bailleul, F., Waterman, P.G. Phytochemistry (2000) 55, 439-46
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanonols; 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 (C) | 158.6 |
| 3 (C) | 137.1 |
| 4 (C) | 179.6 |
| 5 (C) | 163.5 |
| 6 (CH) | 100.3 |
| 7 (C) | 166.5 |
| 8 (CH) | 95.1 |
| 9 (C) | 158.3 |
| 10 (C) | 106.1 |
| 1' (C) | 127.3 |
| 2' (CH) | 110.2 |
| 3' (C) | 153 |
| 4' (C) | 140.1 |
| 5' (C) | 153 |
| 6' (CH) | 110.2 |
| 1'' (CH) | 104.7 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 73 |
| 4'' (CH) | 73.8 |
| 5'' (CH) | 72.6 |
| 6'' (CH3) | 18.9 |
| 4'a (CH3) | 60.8 |
