Spektraris NMR
Rothindin
Common Name: Rothindin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O10/c23-7-17-19(25)20(26)21(27)22(32-17)31-11-2-3-12-15(6-11)28-8-13(18(12)24)10-1-4-14-16(5-10)30-9-29-14/h1-6,8,17,19-23,25-27H,7,9H2/t17-,19-,20+,21-,22-/m1/s1
InChIKey: InChIKey=GWACEFYEIOPAJV-MIUGBVLSSA-N
Formula: C22H20O10
Molecular Weight: 444.389054
Exact Mass: 444.105647
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Rao, G.V., Rao, P.S. Fitoterapia (1985) 56, 287
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) | 153.8 |
| 3 (C) | 125.4 |
| 4 (C) | 174.4 |
| 5 (CH) | 126.9 |
| 6 (CH) | 115.6 |
| 7 (C) | 161.4 |
| 8 (CH) | 103.3 |
| 9 (C) | 156.9 |
| 10 (C) | 118 |
| 1' (C) | 123.3 |
| 2' (CH) | 109.3 |
| 3' (C) | 146.9 |
| 4' (C) | 146.9 |
| 5' (CH) | 107.9 |
| 6' (CH) | 122.3 |
| 1'' (CH) | 99.9 |
| 2'' (CH) | 73 |
| 3'' (CH) | 76.4 |
| 4'' (CH) | 69.5 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 63.5 |
| 3'a (CH2) | 101 |
