Spektraris NMR
Mangostenone A
Common Name: Mangostenone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H28O6/c1-14(2)7-8-16-20-24(31)21-19(13-18-15(22(21)29)9-11-27(3,4)33-18)32-25(20)17-10-12-28(5,6)34-26(17)23(16)30/h7,9-13,29-30H,8H2,1-6H3
InChIKey: InChIKey=YXCXOSIXGSUDDV-UHFFFAOYSA-N
Formula: C28H28O6
Molecular Weight: 460.519376
Exact Mass: 460.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Suksamrarn, S., Suwannapoch, N., Ratananukul, P., Aroonlerk, N., Suksamrarn, A. J Nat Prod (2002) 65, 761-3
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) | 157.9 |
| 2 (C) | 104.3 |
| 3 (C) | 159.6 |
| 4 (CH) | 93.9 |
| 4a (C) | 156 |
| 5 (C) | 106.9 |
| 6 (C) | 144.7 |
| 7 (C) | 139.4 |
| 8 (C) | 127.9 |
| 8a (C) | 111.9 |
| 9 (C) | 182.4 |
| 9a (C) | 103.8 |
| 10a (C) | 147.3 |
| 1' (CH) | 115.8 |
| 2' (CH) | 127 |
| 3' (C) | 77.8 |
| 4' (CH3) | 28.2 |
| 5' (CH3) | 28.2 |
| 1'' (CH) | 115.5 |
| 2'' (CH) | 129 |
| 3'' (C) | 79.2 |
| 4'' (CH3) | 28.4 |
| 5'' (CH3) | 28.4 |
| 1''' (CH2) | 25.7 |
| 2''' (CH) | 122.4 |
| 3''' (C) | 132.4 |
| 4''' (CH3) | 18.1 |
| 5''' (CH3) | 26 |
