Spektraris NMR
Mangostingone
Common Name: Mangostingone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H24O7/c1-11(2)6-7-13-16(26)9-19-21(22(13)28)23(29)20-14(8-15(25)12(3)4)24(30-5)17(27)10-18(20)31-19/h6,9-10,26-28H,3,7-8H2,1-2,4-5H3
InChIKey: InChIKey=AMDSNGQZGHRTAR-UHFFFAOYSA-N
Formula: C24H24O7
Molecular Weight: 424.444074
Exact Mass: 424.152203
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Jung, H.A., Su, B.N., Keller, W.J., Mehta, R.G., Kinghorn, A.D. J Agric Food Chem (2006) 54, 2077-82
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) | 161.4 |
| 2 (C) | 111 |
| 3 (C) | 163.3 |
| 4 (CH) | 93.4 |
| 4a (C) | 156.1 |
| 5 (CH) | 103.3 |
| 6 (C) | 161.1 |
| 7 (C) | 145.7 |
| 8 (C) | 131.4 |
| 8a (C) | 111 |
| 9 (C) | 182.2 |
| 9a (C) | 103.2 |
| 10a (C) | 155.8 |
| 1' (CH2) | 22 |
| 2' (CH) | 123.6 |
| 3' (C) | 131.2 |
| 4' (CH3) | 17.9 |
| 5' (CH3) | 25.9 |
| 1'' (CH2) | 37.9 |
| 2'' (C) | 199.1 |
| 3'' (C) | 145.8 |
| 4'' (CH2) | 123.6 |
| 5'' (CH3) | 18.1 |
| 7a (CH3) | 61.3 |
