Spektraris NMR
Alkannin 3,4-(Methylenedioxy)cinnamate
Common Name: Alkannin 3,4-(Methylenedioxy)cinnamate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H22O8/c1-14(2)3-8-20(16-12-19(29)24-17(27)6-7-18(28)25(24)26(16)31)34-23(30)10-5-15-4-9-21-22(11-15)33-13-32-21/h3-7,9-12,20,27-28H,8,13H2,1-2H3/b10-5+/t20-/m0/s1
InChIKey: InChIKey=ZRQNGEMSRIKRHE-JOCSGSGBSA-N
Formula: C26H22O8
Molecular Weight: 462.449069
Exact Mass: 462.131468
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) | 177 |
| 2 (C) | 148.5 |
| 3 (CH) | 131.6 |
| 4 (C) | 178.5 |
| 5 (C) | 166.7 |
| 6 (CH) | 132.8 |
| 7 (CH) | 132.6 |
| 8 (C) | 167.2 |
| 9 (C) | 111.9 |
| 10 (C) | 111.6 |
| 1' (CH) | 69.5 |
| 2' (CH2) | 32.9 |
| 3' (CH) | 117.8 |
| 4' (C) | 136.1 |
| 5' (CH3) | 25.8 |
| 6' (CH3) | 18 |
| 1'' (C) | 165.9 |
| 2'' (CH) | 115.1 |
| 3'' (CH) | 145.7 |
| 4'' (C) | 128.6 |
| 5'' (CH) | 106.6 |
| 6'' (C) | 148.4 |
| 7'' (C) | 149.9 |
| 8'' (CH) | 108.6 |
| 9'' (CH) | 124.8 |
| 6''a (CH2) | 101.6 |
