Spektraris NMR
3,7,4'-Trihydroxy-3'-(7-methyl-8-acetoxyoctyl)-5,6-dimethoxyflavone
Common Name: 3,7,4'-Trihydroxy-3'-(7-methyl-8-acetoxyoctyl)-5,6-dimethoxyflavone
Synonyms: 3,7,4'-Trihydroxy-3'-(7-methyl-8-acetoxyoctyl)-5,6-dimethoxyflavone
CAS Registry Number:
InChI: InChI=1S/C28H34O9/c1-16(15-36-17(2)29)9-7-5-6-8-10-18-13-19(11-12-20(18)30)26-25(33)24(32)23-22(37-26)14-21(31)27(34-3)28(23)35-4/h11-14,16,30-31,33H,5-10,15H2,1-4H3
InChIKey: InChIKey=PEZYILOZNWLRTK-UHFFFAOYSA-N
Formula: C28H34O9
Molecular Weight: 514.565235
Exact Mass: 514.220283
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Iqbal, K., Malik, A., Mukhtar, N., Anis, I., Khan, S.N., Choudhary, M.I. Chem Pharm Bull (2004) 52, 785-9
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 153.8 |
| 3 (C) | 139.2 |
| 4 (C) | 180 |
| 5 (C) | 158.8 |
| 6 (C) | 132.2 |
| 7 (C) | 157.9 |
| 8 (CH) | 95.5 |
| 9 (C) | 153.9 |
| 10 (C) | 107 |
| 1' (C) | 122 |
| 2' (CH) | 131 |
| 3' (CH) | 131.6 |
| 4' (C) | 159 |
| 5' (C) | 116.5 |
| 6' (CH) | 128.9 |
| 5a (CH3) | 61.5 |
| 6a (CH3) | 60.7 |
| 5'a (CH2) | 28.8 |
| 5'b (CH2) | 30.1 |
| 5'c (CH2) | 32.2 |
| 5'd (CH2) | 32.8 |
| 5'e (CH2) | 33.4 |
| 5'f (CH2) | 34.6 |
| 5'g (CH) | 36.9 |
| 5'h (CH2) | 69 |
| 5'i (C) | 174.9 |
| 5'j (CH3) | 24 |
| 5'ga (CH3) | 18.1 |
