Spektraris NMR
Gaboroquinone B
Common Name: Gaboroquinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H18O9/c1-9(26)16-15(33-2)7-14(29)19(23(16)31)17-10(8-25)6-13(28)20-21(17)22(30)11-4-3-5-12(27)18(11)24(20)32/h3-7,25,27-29,31H,8H2,1-2H3
InChIKey: InChIKey=XBZFXAYXSQAPPD-UHFFFAOYSA-N
Formula: C24H18O9
Molecular Weight: 450.395239
Exact Mass: 450.095082
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Abegaz, B.M., Bezabih, M., Msuta, T., Brun, R., Menche, D., Muhlbacher, J., Bringmann, G. J Nat Prod (2002) 65, 1117-21
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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) | 164.09 |
| 2 (CH) | 121.15 |
| 3 (C) | 156.62 |
| 4 (C) | 126.04 |
| 4a (C) | 132.52 |
| 5 (CH) | 120.1 |
| 6 (CH) | 138.18 |
| 7 (CH) | 124.09 |
| 8 (C) | 162.74 |
| 8a (C) | 116.46 |
| 9 (C) | 194.17 |
| 9a (C) | 115.91 |
| 10 (C) | 182.76 |
| 10a (C) | 135.7 |
| 1' (C) | 106.18 |
| 2' (C) | 161 |
| 3' (C) | 106.18 |
| 4' (C) | 163.83 |
| 5' (CH) | 91.88 |
| 6' (C) | 161.81 |
| 3a (CH2) | 61.92 |
| 3'a (C) | 204.08 |
| 3'b (CH3) | 33.19 |
| 4'a (CH3) | 56.1 |
