Spektraris NMR
Cowagarcinone A
Common Name: Cowagarcinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O6/c1-19(2)10-9-11-22(7)14-17-24-28-32(38)29-27(18-26(35)23(30(29)36)15-12-20(3)4)40-33(28)25(16-13-21(5)6)31(37)34(24)39-8/h10,12-14,18,35-37H,9,11,15-17H2,1-8H3/b22-14+
InChIKey: InChIKey=VIOXRSZWTBNATA-HYARGMPZSA-N
Formula: C34H42O6
Molecular Weight: 546.694962
Exact Mass: 546.298139
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) | 160.56 |
| 2 (C) | 108.36 |
| 3 (C) | 161.51 |
| 4 (CH) | 93.23 |
| 4a (C) | 155.04 |
| 5 (C) | 113.93 |
| 6 (C) | 152.28 |
| 7 (C) | 142.28 |
| 8 (C) | 133.9 |
| 8a (C) | 111.96 |
| 9 (C) | 182.38 |
| 9a (C) | 103.56 |
| 10a (C) | 153.52 |
| 1' (CH2) | 22.44 |
| 2' (CH) | 121.54 |
| 3' (C) | 135.67 |
| 4' (CH3) | 17.93 |
| 5' (CH3) | 25.86 |
| 1'' (CH2) | 22.64 |
| 2'' (CH) | 121.14 |
| 3'' (C) | 132.67 |
| 4'' (CH3) | 17.97 |
| 5'' (CH3) | 25.8 |
| 1''' (CH2) | 26.57 |
| 2''' (CH) | 123.59 |
| 3''' (C) | 135.29 |
| 4''' (CH2) | 39.72 |
| 5''' (CH2) | 26.34 |
| 6''' (CH) | 124.32 |
| 7''' (C) | 131.26 |
| 8''' (CH3) | 25.62 |
| 9''' (CH3) | 16.46 |
| 7a (CH3) | 62.02 |
| 3'''a (CH3) | 17.67 |
