Spektraris NMR
Globulixanthone E
Common Name: Globulixanthone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H30O9/c1-17(2)9-10-18-11-12-20(26-30(39)21-16-24-19(13-14-37(3,4)46-24)15-25(21)45-34(18)26)27-35-29(32(41)33(42)36(27)43-5)31(40)28-22(38)7-6-8-23(28)44-35/h6-9,11-16,38,41-42H,10H2,1-5H3
InChIKey: InChIKey=SXUKJQYYMVBYFN-UHFFFAOYSA-N
Formula: C37H30O9
Molecular Weight: 618.630095
Exact Mass: 618.188983
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Nkengfack A.E., Mkounga P., Meyer M., Fomum Z.T., Bodo B. Phytochemistry (2002) 61, 181-7
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 163 |
| 2 (CH) | 112 |
| 3 (CH) | 137 |
| 4 (CH) | 108.3 |
| 5 (C) | 124.1 |
| 6 (C) | 153 |
| 7 (C) | 155 |
| 8 (C) | 153.5 |
| 9 (C) | 181.2 |
| 1' (CH) | 117 |
| 2' (C) | 158.5 |
| 3' (C) | 107.8 |
| 4' (CH) | 96.5 |
| 5' (C) | 116 |
| 6' (CH) | 126 |
| 7' (CH) | 111.8 |
| 8' (C) | 111 |
| 9' (C) | 182.2 |
| 2'' (C) | 78 |
| 3'' (CH) | 129.4 |
| 4'' (CH) | 116.8 |
| 5'' (CH3) | 28 |
| 6'' (CH3) | 28 |
| 1''' (CH2) | 22.5 |
| 2''' (CH) | 123.1 |
| 3''' (C) | 132.8 |
| 4''' (CH3) | 18 |
| 5''' (CH3) | 26.3 |
| 4a (C) | 158 |
| 6a (CH3) | 62 |
| 8a (C) | 104.5 |
| 9a (C) | 109.1 |
| 10a (C) | 157.5 |
| 4'a (C) | 154.1 |
| 8'a (C) | 130.1 |
| 9'a (C) | 124.5 |
| 10'a (C) | 154.1 |
