Spektraris NMR
7'-O-Methylagathisflavone
Common Name: 7'-O-Methylagathisflavone
Synonyms: 7'-O-Methylagathisflavone
CAS Registry Number:
InChI: InChI=1S/C31H20O10/c1-39-24-12-19(35)26-18(34)10-23(15-4-8-17(33)9-5-15)41-31(26)29(24)28-21(37)13-25-27(30(28)38)20(36)11-22(40-25)14-2-6-16(32)7-3-14/h2-13,32-33,35,37-38H,1H3
InChIKey: InChIKey=KRVFDTUQXBBXQN-UHFFFAOYSA-N
Formula: C31H20O10
Molecular Weight: 552.485677
Exact Mass: 552.105647
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Moreira, I.C., de Carvalho, M.G., Bastos, A., Braz, R. Phytochemistry (1999) 51, 833-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 165.03 |
| 3 (CH) | 104.04 |
| 4 (C) | 183.54 |
| 5 (C) | 161.29 |
| 6 (C) | 104.08 |
| 7 (C) | 163.08 |
| 8 (CH) | 94.5 |
| 9 (C) | 158.18 |
| 10 (C) | 105.12 |
| 1' (C) | 123.16 |
| 2' (CH) | 129.25 |
| 3' (CH) | 116.75 |
| 4' (C) | 161.81 |
| 5' (CH) | 116.75 |
| 6' (CH) | 129.25 |
| 2'' (C) | 165.2 |
| 3'' (CH) | 103.56 |
| 4'' (C) | 183.14 |
| 5'' (C) | 163.43 |
| 6'' (CH) | 96.03 |
| 7'' (C) | 164.82 |
| 8'' (C) | 101 |
| 9'' (C) | 155.5 |
| 10'' (C) | 105.55 |
| 1''' (C) | 123.16 |
| 2''' (CH) | 129.08 |
| 3''' (CH) | 116.75 |
| 4''' (C) | 161.81 |
| 5''' (CH) | 116.75 |
| 6''' (CH) | 129.08 |
| 7''a (CH3) | 56.67 |
