Spektraris NMR
Kunzeachromone A
Common Name: Kunzeachromone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H30O17/c1-10(2)19-7-13(34)22-20(46-19)8-14(35)23(27(22)43)28-30(49-32(45)12-5-17(38)25(41)18(39)6-12)29(26(42)21(9-33)47-28)48-31(44)11-3-15(36)24(40)16(37)4-11/h3-8,10,21,26,28-30,33,35-43H,9H2,1-2H3/t21-,26-,28+,29+,30+/m1/s1
InChIKey: InChIKey=ULJVHBGFMDKGQH-UVNURZEGSA-N
Formula: C32H30O17
Molecular Weight: 686.571655
Exact Mass: 686.1483
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) | 174.9 |
| 3 (CH) | 105.3 |
| 4 (C) | 182.2 |
| 5 (C) | 160.9 |
| 6 (C) | 106.4 |
| 7 (C) | 163.2 |
| 8 (CH) | 93.4 |
| 9 (C) | 157 |
| 10 (C) | 103.1 |
| 1' (CH) | 32.4 |
| 2' (CH3) | 19.78 |
| 3' (CH3) | 19.75 |
| 1'' (CH) | 70.7 |
| 2'' (CH) | 69.7 |
| 3'' (CH) | 77.6 |
| 4'' (CH) | 68.6 |
| 5'' (CH) | 81.7 |
| 6'' (CH2) | 61.2 |
| 1''' (C) | 165.4 |
| 2''' (C) | 119.7 |
| 3''' (CH) | 108.9 |
| 4''' (C) | 145.4 |
| 5''' (C) | 138.4 |
| 6''' (C) | 145.4 |
| 7''' (CH) | 108.9 |
| 1'''' (C) | 164.4 |
| 2'''' (C) | 119 |
| 3'''' (CH) | 108.7 |
| 4'''' (C) | 145.3 |
| 5'''' (C) | 138.3 |
| 6'''' (C) | 145.3 |
| 7'''' (CH) | 108.7 |
