Spektraris NMR
Gerontoxanthone E
Common Name: Gerontoxanthone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H26O5/c1-12(2)7-8-14-9-16-21(26)15-10-17-19(28-13(3)24(17,4)5)11-18(15)29-22(16)23(27-6)20(14)25/h7,9-11,13,25H,8H2,1-6H3
InChIKey: InChIKey=FVRBGJBPCLOZSZ-UHFFFAOYSA-N
Formula: C24H26O5
Molecular Weight: 394.461146
Exact Mass: 394.178024
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wang, Y.H., Hou, A.J., Zhu, G.F., Chen, D.F., Sun, H.D. Planta Med (2005) 71, 273-4
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 (CH) | 159.9 |
| 2 (C) | 118 |
| 3 (C) | 167 |
| 4 (CH) | 90.5 |
| 4a (C) | 158.8 |
| 5 (C) | 135.2 |
| 6 (C) | 155.2 |
| 7 (C) | 127.5 |
| 8 (CH) | 120.9 |
| 8a (C) | 114.4 |
| 9 (C) | 181.6 |
| 9a (C) | 104.5 |
| 10a (C) | 150 |
| 1' (C) | 44.4 |
| 2' (CH) | 92.1 |
| 3' (CH3) | 14.9 |
| 4' (CH3) | 25.8 |
| 5' (CH3) | 21.2 |
| 1'' (CH2) | 29.1 |
| 2'' (CH) | 122.8 |
| 3'' (C) | 134.1 |
| 4'' (CH3) | 18.2 |
| 5'' (CH3) | 26.3 |
| 5a (CH3) | 62.4 |
