Spektraris NMR
Kunzeachromone D
Common Name: Kunzeachromone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H26O17/c1-9-2-12(32)20-18(44-9)7-13(33)21(25(20)41)26-28(47-30(43)11-5-16(36)23(39)17(37)6-11)27(24(40)19(8-31)45-26)46-29(42)10-3-14(34)22(38)15(35)4-10/h2-7,19,24,26-28,31,33-41H,8H2,1H3/t19-,24-,26+,27+,28+/m1/s1
InChIKey: InChIKey=NXKWVTRFFUAVSC-CGXVKTPZSA-N
Formula: C30H26O17
Molecular Weight: 658.51842
Exact Mass: 658.116999
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) | 167.7 |
| 3 (CH) | 106.3 |
| 4 (C) | 182 |
| 5 (C) | 161.1 |
| 6 (C) | 108.1 |
| 7 (C) | 163.1 |
| 8 (CH) | 93.4 |
| 9 (C) | 157.1 |
| 10 (C) | 103 |
| 1' (CH3) | 19.9 |
| 1'' (CH) | 70.7 |
| 2'' (CH) | 69.7 |
| 3'' (CH) | 77.6 |
| 4'' (CH) | 68.7 |
| 5'' (CH) | 81.8 |
| 6'' (CH2) | 61.2 |
| 1''' (C) | 165.3 |
| 2''' (C) | 119.7 |
| 3''' (CH) | 108.9 |
| 4''' (C) | 145.5 |
| 5''' (C) | 138.5 |
| 6''' (C) | 145.5 |
| 7''' (CH) | 108.9 |
| 1'''' (C) | 164.6 |
| 2'''' (C) | 119.1 |
| 3'''' (CH) | 108.7 |
| 4'''' (C) | 145.3 |
| 5'''' (C) | 138.4 |
| 6'''' (C) | 145.3 |
| 7'''' (CH) | 108.7 |
