Spektraris NMR
Millewanin H
Common Name: Millewanin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O7/c1-12(2)5-7-15-22(29)16(10-19(27)13(3)4)25-21(23(15)30)24(31)17(11-32-25)14-6-8-18(26)20(28)9-14/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
InChIKey: InChIKey=RZHIZFURFGRHHQ-UHFFFAOYSA-N
Formula: C25H26O7
Molecular Weight: 438.470692
Exact Mass: 438.167853
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ito, C., Itoigawa, M., Kumagaya, M., Okamoto, Y., Ueda, K., Nishihara, T., Kojima, N., Furukawa, H. J Nat Prod (2006) 69, 138-41
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 |
| 3 (C) | 123.6 |
| 4 (C) | 182.1 |
| 5 (C) | 159.1 |
| 6 (C) | 113.2 |
| 7 (C) | 162.1 |
| 8 (C) | 104.6 |
| 9 (C) | 154.3 |
| 10 (C) | 106 |
| 1' (C) | 123.9 |
| 2' (CH) | 117.3 |
| 3' (C) | 145.6 |
| 4' (C) | 146.2 |
| 5' (CH) | 115.9 |
| 6' (CH) | 121.4 |
| 1'' (CH2) | 22.4 |
| 2'' (CH) | 123.4 |
| 3'' (C) | 131.4 |
| 4'' (CH3) | 17.9 |
| 5'' (CH3) | 25.9 |
| 1''' (CH2) | 29.8 |
| 2''' (CH) | 77.3 |
| 3''' (C) | 147.7 |
| 4''' (CH2) | 110.9 |
| 5''' (CH3) | 18.5 |
