Spektraris NMR
Cajanin
Common Name: Cajanin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
InChIKey: InChIKey=ALFNTRJPGFNJQV-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Waffo, A.K., Azebaze, G.A., Nkengfack, A.E., Fomum, Z.T., Meyer, M., Bodo, B., van Heerden, F.R. Phytochemistry (2000) 53, 981-5
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) | 155.6 |
| 3 (C) | 120.6 |
| 4 (C) | 180.6 |
| 5 (C) | 161.6 |
| 6 (CH) | 97.9 |
| 7 (C) | 165.1 |
| 8 (CH) | 92.3 |
| 9 (C) | 158.6 |
| 10 (C) | 105.4 |
| 1' (C) | 108.4 |
| 2' (C) | 156.4 |
| 3' (CH) | 102.6 |
| 4' (C) | 157.5 |
| 5' (CH) | 106.2 |
| 6' (CH) | 132.2 |
| 7a (CH3) | 56.1 |
