Spektraris NMR
Garcimangosone D
Common Name: Garcimangosone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O9/c20-8-13-16(24)17(25)18(26)19(28-13)27-12-7-10(21)6-11(22)14(12)15(23)9-4-2-1-3-5-9/h1-7,13,16-22,24-26H,8H2/t13-,16-,17+,18-,19-/m1/s1
InChIKey: InChIKey=CCXXIROIENJKKR-LQDZTQBFSA-N
Formula: C19H20O9
Molecular Weight: 392.357441
Exact Mass: 392.110732
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 : Benzophenones; 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) | 107.4 |
| 2 (C) | 163.9 |
| 3 (CH) | 97.9 |
| 4 (C) | 164.8 |
| 5 (CH) | 95.6 |
| 6 (C) | 160 |
| 1' (C) | 142.2 |
| 2' (CH) | 129.3 |
| 3' (CH) | 128.5 |
| 4' (CH) | 132.1 |
| 5' (CH) | 128.5 |
| 6' (CH) | 129.3 |
| 7' (C) | 198.9 |
| 1'' (CH) | 101 |
| 2'' (CH) | 74.2 |
| 3'' (CH) | 77.4 |
| 4'' (CH) | 71 |
| 5'' (CH) | 77.7 |
| 6'' (CH2) | 62.5 |
