Spektraris NMR
7,3\'-Dihydroxy-4\'-methoxy-8-(3-methyl-2-butenyl)isoflavone
Common Name: 7,3\'-Dihydroxy-4\'-methoxy-8-(3-methyl-2-butenyl)isoflavone
Synonyms: 7,3\'-Dihydroxy-4\'-methoxy-8-(3-methyl-2-butenyl)isoflavone
CAS Registry Number:
InChI: InChI=1S/C21H20O5/c1-12(2)4-6-14-17(22)8-7-15-20(24)16(11-26-21(14)15)13-5-9-19(25-3)18(23)10-13/h4-5,7-11,22-23H,6H2,1-3H3
InChIKey: InChIKey=SZLBHZSAKDINNX-UHFFFAOYSA-N
Formula: C21H20O5
Molecular Weight: 352.381294
Exact Mass: 352.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lambert, M., Staerk, D., Hansen, S.H., Sairafianpour, M., Jaroszewski, J.W. J Nat Prod (2005) 68, 1500-9
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) | 152.3 |
| 3 (C) | 124.3 |
| 4 (C) | 176.3 |
| 5 (CH) | 125.4 |
| 6 (CH) | 114.8 |
| 7 (C) | 158.9 |
| 8 (C) | 114.5 |
| 9 (C) | 155.4 |
| 10 (C) | 118.5 |
| 1' (C) | 125.3 |
| 2' (CH) | 115.3 |
| 3' (C) | 146.7 |
| 4' (C) | 145.4 |
| 5' (CH) | 110.9 |
| 6' (CH) | 121.3 |
| 1'' (CH2) | 22.2 |
| 2'' (CH) | 120.6 |
| 3'' (C) | 135.4 |
| 4'' (CH3) | 18 |
| 5'' (CH3) | 25.8 |
| 4'a (CH3) | 56.1 |
