Spektraris NMR
Cowagarcinone E
Common Name: Cowagarcinone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H36O8/c1-17(2)8-7-9-18(3)10-13-22-27-25(15-24(34)31(22)37-6)39-26-14-23(33)21(29(35)28(26)30(27)36)12-11-19(4)16-38-20(5)32/h8,10-11,14-15,33-35H,7,9,12-13,16H2,1-6H3/b18-10+,19-11-
InChIKey: InChIKey=UOQPQEKMOLGUPY-PAUOAVIZSA-N
Formula: C31H36O8
Molecular Weight: 536.613919
Exact Mass: 536.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mahabusarakam, W., Chairerk, P., Taylor, W.C. Phytochemistry (2005) 66, 1148-53
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) | 160.86 |
| 2 (C) | 108.03 |
| 3 (C) | 161.58 |
| 4 (CH) | 93.57 |
| 4a (C) | 155.3 |
| 5 (CH) | 101.6 |
| 6 (C) | 154.55 |
| 7 (C) | 142.64 |
| 8 (C) | 137.15 |
| 8a (C) | 112.27 |
| 9 (C) | 181.99 |
| 9a (C) | 103.48 |
| 10a (C) | 155.86 |
| 1' (CH2) | 20.9 |
| 2' (CH) | 128.63 |
| 3' (C) | 131.28 |
| 4' (CH2) | 63.92 |
| 5' (CH3) | 21.16 |
| 1''' (CH2) | 26.59 |
| 2''' (CH) | 123.3 |
| 3''' (C) | 135.57 |
| 4''' (CH2) | 39.72 |
| 5''' (CH2) | 26.53 |
| 6''' (CH) | 124.33 |
| 7''' (C) | 130.45 |
| 8''' (CH3) | 25.61 |
| 9''' (CH3) | 17.67 |
| 7a (CH3) | 62.06 |
| 4'a (C) | 172.17 |
| 4'b (CH3) | 20.99 |
| 3'''a (CH3) | 16.5 |
