Spektraris NMR
Alkannin cinnamate
Common Name: Alkannin cinnamate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H22O6/c1-15(2)8-12-21(31-22(29)13-9-16-6-4-3-5-7-16)17-14-20(28)23-18(26)10-11-19(27)24(23)25(17)30/h3-11,13-14,21,26-27H,12H2,1-2H3/b13-9+/t21-/m0/s1
InChIKey: InChIKey=BXLJKAWHYOWTSY-TZTLJZABSA-N
Formula: C25H22O6
Molecular Weight: 418.439524
Exact Mass: 418.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, C.C., Syu, W.J., Li, S.Y., Lin, C.H., Lee, G.H., Sun, C.M. J Nat Prod (2002) 65, 1857-62
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthazarins; 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 |
|---|---|
| 1 (C) | 176.8 |
| 2 (C) | 148.4 |
| 3 (CH) | 131.6 |
| 4 (C) | 178.3 |
| 5 (C) | 166.9 |
| 6 (CH) | 132.9 |
| 7 (CH) | 132.7 |
| 8 (C) | 167.5 |
| 9 (C) | 111.9 |
| 10 (C) | 111.6 |
| 1' (CH) | 69.7 |
| 2' (CH2) | 32.9 |
| 3' (CH) | 117.8 |
| 4' (C) | 136.1 |
| 5' (CH3) | 25.8 |
| 6' (CH3) | 18 |
| 1'' (C) | 165.7 |
| 2'' (CH) | 117.3 |
| 3'' (CH) | 146 |
| 4'' (C) | 134.1 |
| 5'' (CH) | 128.2 |
| 6'' (CH) | 129 |
| 7'' (CH) | 130.6 |
| 8'' (CH) | 129 |
| 9'' (CH) | 128.2 |
