Spektraris NMR
Mangostanin
Common Name: Mangostanin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O7/c1-13(2)7-8-14-17(30-5)12-19-21(22(14)27)23(28)20-15(9-10-25(3,4)29)24(31-6)16(26)11-18(20)32-19/h7,9-12,26-27,29H,8H2,1-6H3/b10-9+
InChIKey: InChIKey=QXRLQTRFEMAPRP-MDZDMXLPSA-N
Formula: C25H28O7
Molecular Weight: 440.486573
Exact Mass: 440.183503
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Johns, S.R., Lamberton, J.A., Morton, T.C., Suares, H., Willing, R.I. Aust J Chem (1983) 36, 2537-47
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) | 160.3 |
| 2 (C) | 112 |
| 3 (C) | 164.7 |
| 4 (CH) | 90 |
| 4a (C) | 156.3 |
| 5 (CH) | 103.1 |
| 6 (C) | 158 |
| 7 (C) | 144.1 |
| 8 (C) | 133.2 |
| 8a (C) | 112.1 |
| 9 (C) | 182.7 |
| 9a (C) | 104.2 |
| 10a (C) | 155.8 |
| 1' (CH) | 124.7 |
| 2' (CH) | 139.5 |
| 3' (C) | 82.3 |
| 4' (CH3) | 25.1 |
| 5' (CH3) | 25.1 |
| 2a (CH2) | 21.9 |
| 2b (CH) | 123.4 |
| 2c (C) | 131.5 |
| 2d (CH3) | 25.9 |
| 2e (CH3) | 17.8 |
| 3a (CH3) | 56.6 |
| 7a (CH3) | 60.5 |
