Spektraris NMR
Gaboroquinone A
Common Name: Gaboroquinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H18O9/c1-9(26)16-14(29)7-15(30)20(24(16)33-2)17-10(8-25)6-13(28)19-21(17)22(31)11-4-3-5-12(27)18(11)23(19)32/h3-7,25,27-30H,8H2,1-2H3
InChIKey: InChIKey=KUDYATBIEOTCGT-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) | 164.07 |
| 2 (CH) | 121.65 |
| 3 (C) | 156.18 |
| 4 (C) | 126.06 |
| 4a (C) | 132.96 |
| 5 (CH) | 120.22 |
| 6 (CH) | 138.29 |
| 7 (CH) | 124.35 |
| 8 (C) | 162.75 |
| 8a (C) | 116.53 |
| 9 (C) | 194.18 |
| 9a (C) | 116 |
| 10 (C) | 183.39 |
| 10a (C) | 135.79 |
| 1' (C) | 113.33 |
| 2' (C) | 161 |
| 3' (C) | 109.86 |
| 4' (C) | 166.67 |
| 5' (CH) | 100.45 |
| 6' (C) | 162.3 |
| 3a (CH2) | 62.11 |
| 2'a (CH3) | 61.2 |
| 3'a (C) | 205 |
| 3'b (CH3) | 31.59 |
