Spektraris NMR
Kunzeachromone B
Common Name: Kunzeachromone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H30O17/c1-10(2)20-8-15(36)22-13(34)7-14(35)23(27(22)46-20)28-30(49-32(45)12-5-18(39)25(42)19(40)6-12)29(26(43)21(9-33)47-28)48-31(44)11-3-16(37)24(41)17(38)4-11/h3-8,10,21,26,28-30,33-35,37-43H,9H2,1-2H3/t21-,26-,28+,29+,30+/m1/s1
InChIKey: InChIKey=VVAYAJDWIGHJTD-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) | 174.5 |
| 3 (CH) | 105.6 |
| 4 (C) | 182.4 |
| 5 (C) | 161 |
| 6 (CH) | 97.9 |
| 7 (C) | 162.6 |
| 8 (C) | 102.1 |
| 9 (C) | 157.2 |
| 10 (C) | 104 |
| 1' (CH) | 33.1 |
| 2' (CH3) | 20.3 |
| 3' (CH3) | 20.1 |
| 1'' (CH) | 70.8 |
| 2'' (CH) | 70.2 |
| 3'' (CH) | 77 |
| 4'' (CH) | 68.9 |
| 5'' (CH) | 81.9 |
| 6'' (CH2) | 61.3 |
| 1''' (C) | 165.4 |
| 2''' (C) | 119.6 |
| 3''' (CH) | 108.9 |
| 4''' (C) | 145.5 |
| 5''' (C) | 138.7 |
| 6''' (C) | 145.4 |
| 7''' (CH) | 108.9 |
| 1'''' (C) | 164.8 |
| 2'''' (C) | 118.7 |
| 3'''' (CH) | 108.7 |
| 4'''' (C) | 145.4 |
| 5'''' (C) | 138.6 |
| 6'''' (C) | 145.3 |
| 7'''' (CH) | 108.7 |
