Spektraris NMR
Erysenegalensein O
Common Name: Erysenegalensein O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O7/c1-12(2)5-7-15-21(29)20-22(30)17(14-8-6-13(26)9-18(14)27)11-31-24(20)16-10-19(28)25(3,4)32-23(15)16/h5-6,8-9,11,19,26-29H,7,10H2,1-4H3
InChIKey: InChIKey=VQBGDCHSWUNTQC-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) | 155.21 |
| 3 (C) | 120.49 |
| 4 (C) | 180.68 |
| 5 (C) | 155.67 |
| 6 (C) | 111.01 |
| 7 (C) | 156.41 |
| 8 (C) | 98.54 |
| 9 (C) | 152.78 |
| 10 (C) | 104.83 |
| 1' (C) | 108.73 |
| 2' (C) | 156.3 |
| 3' (CH) | 102.53 |
| 4' (C) | 158.56 |
| 5' (CH) | 106.18 |
| 6' (CH) | 132.05 |
| 1'' (CH2) | 21.05 |
| 2'' (CH) | 121.96 |
| 3'' (C) | 130.52 |
| 4'' (CH3) | 25.28 |
| 5'' (CH3) | 17.74 |
| 2''' (C) | 78.64 |
| 3''' (CH) | 66.76 |
| 4''' (CH2) | 24.99 |
| 5''' (CH3) | 25.51 |
| 6''' (CH3) | 20.87 |
