Spektraris NMR
Daidzein diacetate
Common Name: Daidzein diacetate
Synonyms: Daidzein diacetate
CAS Registry Number:
InChI: InChI=1S/C19H14O6/c1-11(20)24-14-5-3-13(4-6-14)17-10-23-18-9-15(25-12(2)21)7-8-16(18)19(17)22/h3-10H,1-2H3
InChIKey: InChIKey=OHNNFNBOPWLDFH-UHFFFAOYSA-N
Formula: C19H14O6
Molecular Weight: 338.311582
Exact Mass: 338.079038
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Jha, B.C., Zilliken, F., Breitmaier, B. Can J Chem (1980) 58, 1211
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) | 153.3 |
| 3 (C) | 124.9 |
| 4 (C) | 175.6 |
| 5 (CH) | 128 |
| 6 (CH) | 119.7 |
| 7 (C) | 156.8 |
| 8 (CH) | 111 |
| 9 (C) | 154.7 |
| 10 (C) | 122.5 |
| 1' (C) | 129.3 |
| 2' (CH) | 130.2 |
| 3' (CH) | 121.8 |
| 4' (C) | 150.9 |
| 5' (CH) | 121.8 |
| 6' (CH) | 130.2 |
| 7a (C) | 168.6 |
| 7b (CH3) | 21.1 |
| 4'a (C) | 169.5 |
| 4'b (CH3) | 21.1 |
