Spektraris NMR
Garcimangosone A
Common Name: Garcimangosone 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)32-26(20)23(30)17-10-12-28(5,6)34-25(16)17/h7,9-13,29-30H,8H2,1-6H3
InChIKey: InChIKey=SSITWAPGVBPANU-UHFFFAOYSA-N
Formula: C28H28O6
Molecular Weight: 460.519376
Exact Mass: 460.188589
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Huang, Y.L., Chen, C.C., Chen, Y.J., Huang, R.L., Shieh, B.J. J Nat Prod (2001) 64, 903-6
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) | 158.6 |
| 2 (C) | 105 |
| 3 (C) | 160.6 |
| 4 (CH) | 94.6 |
| 4a (C) | 157 |
| 5 (C) | 146.9 |
| 6 (C) | 108 |
| 7 (C) | 141.5 |
| 8 (C) | 128.9 |
| 8a (C) | 113 |
| 9 (C) | 183.4 |
| 9a (C) | 104.3 |
| 10a (C) | 147.9 |
| 1' (CH) | 116 |
| 2' (CH) | 128.4 |
| 3' (C) | 78.7 |
| 4' (CH3) | 28.4 |
| 5' (CH3) | 28.4 |
| 1'' (CH) | 115.8 |
| 2'' (CH) | 130.8 |
| 3'' (C) | 79.6 |
| 4'' (CH3) | 28.2 |
| 5'' (CH3) | 28.2 |
| 1''' (CH2) | 26.3 |
| 2''' (CH) | 124.2 |
| 3''' (C) | 131.5 |
| 4''' (CH3) | 18.2 |
| 5''' (CH3) | 26 |
