Spektraris NMR
Kunzeachromone E
Common Name: Kunzeachromone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O13/c1-7-2-9(25)15-10(26)5-11(27)16(20(15)34-7)21-22(19(32)18(31)14(6-24)35-21)36-23(33)8-3-12(28)17(30)13(29)4-8/h2-5,14,18-19,21-22,24,26-32H,6H2,1H3/t14-,18-,19+,21+,22-/m1/s1
InChIKey: InChIKey=BXPVEOJKGGSGJF-ASKKKEJKSA-N
Formula: C23H22O13
Molecular Weight: 506.413886
Exact Mass: 506.106041
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ito, H., Kasajima, N., Tokuda, H., Nishino, H., Yoshida, T. J Nat Prod (2004) 67, 411-5
Species:
Notes: Family : Chromans, Type : Chromones; 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 (C) | 167.6 |
| 3 (CH) | 107.8 |
| 4 (C) | 182.2 |
| 5 (C) | 160.8 |
| 6 (CH) | 97.6 |
| 7 (C) | 162.2 |
| 8 (C) | 103.9 |
| 9 (C) | 157.1 |
| 10 (C) | 102.8 |
| 1' (CH3) | 20 |
| 1'' (CH) | 70.6 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 76.1 |
| 4'' (CH) | 70.8 |
| 5'' (CH) | 81.7 |
| 6'' (CH2) | 61.5 |
| 1''' (C) | 165 |
| 2''' (C) | 119.7 |
| 3''' (CH) | 108.8 |
| 4''' (C) | 145.5 |
| 5''' (C) | 138.8 |
| 6''' (C) | 145.5 |
| 7''' (CH) | 108.8 |
