Spektraris NMR
β-Mangostin
Common Name: β-Mangostin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
InChIKey: InChIKey=YRKKJHJIWCRNCW-UHFFFAOYSA-N
Formula: C25H28O6
Molecular Weight: 424.487168
Exact Mass: 424.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Moriarity, D.M., Huang, J., Yancey, C.A., Zhang, P., Setzer, W.N., Lawton, R.O., Bates, R.B., Caldera, S. Planta Med (1998) 64, 370-2
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) | 159.8 |
| 2 (C) | 111.7 |
| 3 (C) | 163.5 |
| 4 (CH) | 89 |
| 4a (C) | 155.7 |
| 5 (CH) | 101.6 |
| 6 (C) | 155.3 |
| 7 (C) | 142.6 |
| 8 (C) | 137.1 |
| 8a (C) | 112.6 |
| 9 (C) | 181.9 |
| 9a (C) | 104 |
| 10a (C) | 154.4 |
| 1' (CH2) | 21.7 |
| 2' (CH) | 122.4 |
| 3' (C) | 131.7 |
| 4' (CH3) | 18.1 |
| 5' (CH3) | 26.1 |
| 1'' (CH2) | 26.9 |
| 2'' (CH) | 123.3 |
| 3'' (C) | 132.1 |
| 4'' (CH3) | 18.6 |
| 5'' (CH3) | 26.1 |
| 3a (CH3) | 56.1 |
| 7a (CH3) | 62.3 |
