Spektraris NMR
7-Demethylartonol E
Common Name: 7-Demethylartonol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H22O7/c1-10(2)13-9-14-21(29)18-15(27)7-11(26)8-16(18)31-23(14)19-17(13)22(30)24-12(20(19)28)5-6-25(3,4)32-24/h5-8,13,26-28,30H,1,9H2,2-4H3
InChIKey: InChIKey=UIBUSXFOXNXBAR-UHFFFAOYSA-N
Formula: C25H22O7
Molecular Weight: 434.438929
Exact Mass: 434.136553
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Namdaung, U., Aroonrerk, N., Suksamrarn, S., Danwisetkanjana, K., Saenboonrueng, J., Arjchomphu, W., Suksamrarn, A. Chem Pharm Bull (2006) 54, 1433-6
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) | 161 |
| 3 (C) | 112.1 |
| 4 (C) | 180.9 |
| 5 (C) | 163.2 |
| 6 (CH) | 99.8 |
| 7 (C) | 164.5 |
| 8 (CH) | 94.9 |
| 9 (C) | 157.5 |
| 10 (C) | 104.9 |
| 1' (C) | 107.1 |
| 2' (C) | 145.3 |
| 3' (C) | 110.4 |
| 4' (C) | 145.4 |
| 5' (C) | 137.3 |
| 6' (C) | 128.6 |
| 1'' (CH2) | 22.3 |
| 2'' (CH) | 37.7 |
| 3'' (C) | 145.4 |
| 4'' (CH2) | 111.7 |
| 5'' (CH3) | 21.8 |
| 1''' (CH) | 117.2 |
| 2''' (CH) | 129.7 |
| 3''' (C) | 78.3 |
| 4''' (CH3) | 28 |
| 5''' (CH3) | 28 |
