Spektraris NMR
Millewanin E
Common Name: Millewanin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O7/c1-13(2)19(32-29)11-17-23-16(9-10-25(3,4)31-23)21(27)20-22(28)18(12-30-24(17)20)14-5-7-15(26)8-6-14/h5-10,12,19,26-27,29H,1,11H2,2-4H3
InChIKey: InChIKey=CKNDFQDIEXGCEU-UHFFFAOYSA-N
Formula: C25H24O7
Molecular Weight: 436.45481
Exact Mass: 436.152203
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ito, C., Itoigawa, M., Kojima, N., Tokuda, H., Hirata, T., Nishino, H., Furukawa, H. J Nat Prod (2004) 67, 1125-30
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 154.4 |
| 3 (C) | 123.8 |
| 4 (C) | 182.1 |
| 5 (C) | 156.2 |
| 6 (C) | 105.6 |
| 7 (C) | 157.9 |
| 8 (C) | 104.7 |
| 9 (C) | 156.1 |
| 10 (C) | 106.4 |
| 1' (C) | 122.9 |
| 2' (CH) | 131.1 |
| 3' (CH) | 116 |
| 4' (C) | 158.5 |
| 5' (CH) | 116 |
| 6' (CH) | 131.1 |
| 2'' (C) | 79 |
| 3'' (CH) | 129.1 |
| 4'' (CH) | 116.1 |
| 5'' (CH3) | 28.5 |
| 6'' (CH3) | 28.5 |
| 1''' (CH2) | 25.2 |
| 2''' (CH) | 88.7 |
| 3''' (C) | 145.7 |
| 4''' (CH3) | 17.3 |
| 5''' (CH2) | 113.3 |
