Spektraris NMR
6-O-Methylmangostanin
Common Name: 6-O-Methylmangostanin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O7/c1-14(2)8-9-15-17(30-5)12-19-22(23(15)27)24(28)21-16(10-11-26(3,4)29)25(32-7)20(31-6)13-18(21)33-19/h8,10-13,27,29H,9H2,1-7H3/b11-10+
InChIKey: InChIKey=SPRXFHBMQQEVDG-ZHACJKMWSA-N
Formula: C26H30O7
Molecular Weight: 454.51319
Exact Mass: 454.199153
NMR Solvent: CDCl3
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) | 159.6 |
| 2 (C) | 112.1 |
| 3 (C) | 163.9 |
| 4 (CH) | 89 |
| 4a (C) | 155.5 |
| 5 (CH) | 99 |
| 6 (C) | 158.8 |
| 7 (C) | 143.5 |
| 8 (C) | 132.4 |
| 8a (C) | 112.7 |
| 9 (C) | 181.7 |
| 9a (C) | 104 |
| 10a (C) | 154.9 |
| 1' (CH) | 124.3 |
| 2' (CH) | 137.6 |
| 3' (C) | 82.1 |
| 4' (CH3) | 25.5 |
| 5' (CH3) | 25.5 |
| 2a (CH2) | 21.4 |
| 2b (CH) | 122 |
| 2c (C) | 131.9 |
| 2d (CH3) | 25.8 |
| 2e (CH3) | 17.8 |
| 3a (CH3) | 55.9 |
| 6a (CH3) | 56.3 |
| 7a (CH3) | 60.5 |
