Spektraris NMR
Iridin
Common Name: Iridin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3/t15-,18-,20+,21-,24-/m1/s1
InChIKey: InChIKey=LNQCUTNLHUQZLR-OZJWLQQPSA-N
Formula: C24H26O13
Molecular Weight: 522.456385
Exact Mass: 522.137341
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ali, A.A., Elemary, N.A., Elmoghazi, M.A., Darwish, F.M., Frahm, A.W. Phytochemistry (1983) 22, 2061-3
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) | 155.4 |
| 3 (C) | 122.1 |
| 4 (C) | 178.2 |
| 5 (C) | 153.1 |
| 6 (C) | 130.9 |
| 7 (C) | 156.8 |
| 8 (CH) | 94.2 |
| 9 (C) | 153.1 |
| 10 (C) | 104.8 |
| 1' (C) | 125.9 |
| 2' (CH) | 104.8 |
| 3' (C) | 150.3 |
| 4' (C) | 136.7 |
| 5' (C) | 152.4 |
| 6' (CH) | 110.5 |
| 1'' (CH) | 100.3 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 76.8 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 77.4 |
| 6'' (CH2) | 63.5 |
| 6a (CH3) | 60.8 |
| 4'a (CH3) | 56 |
| 5'a (CH3) | 60 |
