Spektraris NMR
Smiranicin
Common Name: Smiranicin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O5/c1-21-16-6-4-13(19(22-2)17(16)20)12-9-11-3-5-15-14(7-8-23-15)18(11)24-10-12/h3-8,12,20H,9-10H2,1-2H3/t12-/m0/s1
InChIKey: InChIKey=DGWRIGGEKQHRTA-LBPRGKRZSA-N
Formula: C19H18O5
Molecular Weight: 326.34394
Exact Mass: 326.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sairafianpour, M., Kayser, O., Christensen, J., Asfa, M., Witt, M., Staerk, D., Jaroszewski, J.W. J Nat Prod (2002) 65, 1754-8
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanes; 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) | 70.62 |
| 3 (CH) | 31.81 |
| 4 (CH2) | 31.68 |
| 5 (CH) | 125.83 |
| 6 (CH) | 103.93 |
| 7 (C) | 155.02 |
| 8 (C) | 117.06 |
| 9 (C) | 147.65 |
| 10 (C) | 114.77 |
| 1' (C) | 127.5 |
| 2' (C) | 145.36 |
| 3' (C) | 138.72 |
| 4' (C) | 146.72 |
| 5' (CH) | 106.52 |
| 6' (CH) | 117.06 |
| 1'' (CH) | 103.73 |
| 2'' (CH) | 143.75 |
| 2'a (CH3) | 61.04 |
| 4'a (CH3) | 56.25 |
