Spektraris NMR
dihydrodaidzin
Common Name: dihydrodaidzin
Synonyms: dihydrodaidzin
CAS Registry Number:
InChI: InChI=1S/C21H22O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,14,16,18-23,25-27H,8-9H2/t14?,16-,18-,19+,20-,21-/m1/s1
InChIKey: InChIKey=KKJXSJGKUZBVIH-RGHIGTIISA-N
Formula: C21H22O9
Molecular Weight: 418.394795
Exact Mass: 418.126382
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Hosny, M., Rosazza, J.P. J Nat Prod (2002) 65, 805-13
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 71.34 |
| 3 (CH) | 47.19 |
| 4 (C) | 198.4 |
| 5 (CH) | 129 |
| 6 (CH) | 116.3 |
| 7 (C) | 164.6 |
| 8 (CH) | 104.9 |
| 9 (C) | 155.2 |
| 10 (C) | 117.8 |
| 1' (C) | 128.7 |
| 2' (CH) | 131.4 |
| 3' (CH) | 116.2 |
| 4' (C) | 159.2 |
| 5' (CH) | 116.2 |
| 6' (CH) | 131.4 |
| 1'' (CH) | 101.2 |
| 2'' (CH) | 74.6 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 71.11 |
| 5'' (CH) | 78.22 |
| 6'' (CH2) | 62.31 |
