Spektraris NMR
Erysenegalensein N
Common Name: Erysenegalensein N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O7/c1-12(2)5-7-16-22(29)17(10-19(27)13(3)4)23(30)21-24(31)18(11-32-25(16)21)15-8-6-14(26)9-20(15)28/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
InChIKey: InChIKey=LFMQYXZSJKQEKQ-UHFFFAOYSA-N
Formula: C25H26O7
Molecular Weight: 438.470692
Exact Mass: 438.167853
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Oh, W.K., Lee, H.S., Ahn, S.C., Ahn, J.S., Mbafor, J.T., Wandji, J., Fomum, Z.T., Chang, H.K., Kim, Y.H. Phytochemistry (1999) 51, 1147-50
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) | 154.93 |
| 3 (C) | 119.9 |
| 4 (C) | 180.5 |
| 5 (C) | 156.93 |
| 6 (C) | 109.1 |
| 7 (C) | 161.72 |
| 8 (C) | 106.17 |
| 9 (C) | 153.2 |
| 10 (C) | 103.79 |
| 1' (C) | 108.88 |
| 2' (C) | 156.36 |
| 3' (CH) | 102.61 |
| 4' (C) | 158.43 |
| 5' (CH) | 106.16 |
| 6' (CH) | 132.04 |
| 1'' (CH2) | 28.88 |
| 2'' (CH) | 74.69 |
| 3'' (C) | 147.05 |
| 4'' (CH3) | 18.05 |
| 5'' (CH2) | 109.74 |
| 1''' (CH2) | 21.36 |
| 2''' (CH) | 122.51 |
| 3''' (C) | 130.65 |
| 4''' (CH3) | 25.39 |
| 5''' (CH3) | 17.63 |
