Spektraris NMR
Cochinchinone A
Common Name: Cochinchinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O5/c1-16(2)7-6-8-18(5)10-13-21-25(30)20(12-9-17(3)4)26(31)24-27(32)22-15-19(29)11-14-23(22)33-28(21)24/h7,9-11,14-15,29-31H,6,8,12-13H2,1-5H3/b18-10+
InChIKey: InChIKey=ZHJQVNDLFGICFY-VCHYOVAHSA-N
Formula: C28H32O5
Molecular Weight: 448.551734
Exact Mass: 448.224974
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Mahabusarakam, W., Nuangnaowarat, W., Taylor, W.C. Phytochemistry (2006) 67, 470-4
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) | 158.27 |
| 2 (C) | 108.9 |
| 3 (C) | 161.13 |
| 4 (C) | 105 |
| 4a (C) | 152.97 |
| 5 (CH) | 118.87 |
| 6 (CH) | 124.12 |
| 7 (C) | 152.43 |
| 8 (CH) | 108.89 |
| 8a (C) | 120.45 |
| 9 (C) | 180.9 |
| 9a (C) | 102.96 |
| 10a (C) | 150.34 |
| 1' (CH2) | 21.58 |
| 2' (CH) | 121.58 |
| 3' (C) | 134.92 |
| 4' (CH3) | 17.94 |
| 5' (CH3) | 25.86 |
| 1'' (CH2) | 21.59 |
| 2'' (CH) | 121.58 |
| 3'' (C) | 137.94 |
| 4'' (CH2) | 39.72 |
| 5'' (CH2) | 26.43 |
| 6'' (CH) | 123.85 |
| 7'' (C) | 131.5 |
| 8'' (CH3) | 25.66 |
| 9'' (CH3) | 16.27 |
| 10'' (CH3) | 17.69 |
