Spektraris NMR
Cochinchinone B
Common Name: Cochinchinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-19-25(31)22(30)13-20-27(33)24-23(34-28(19)20)14-21(29)18(26(24)32)11-9-16(3)4/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
InChIKey: InChIKey=QRQRZDHZRAXLKZ-LICLKQGHSA-N
Formula: C28H32O6
Molecular Weight: 464.551139
Exact Mass: 464.219889
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) | 160 |
| 2 (C) | 110.02 |
| 3 (C) | 162.28 |
| 4 (CH) | 93.34 |
| 4a (C) | 155.73 |
| 5 (C) | 115.32 |
| 6 (C) | 150.23 |
| 7 (C) | 141.6 |
| 8 (CH) | 105.95 |
| 8a (C) | 112.85 |
| 9 (C) | 180.11 |
| 9a (C) | 102.33 |
| 10a (C) | 149.76 |
| 1' (CH2) | 21.28 |
| 2' (CH) | 122.63 |
| 3' (C) | 131.4 |
| 4' (CH3) | 17.79 |
| 5' (CH3) | 25.72 |
| 1'' (CH2) | 22.32 |
| 2'' (CH) | 121.43 |
| 3'' (C) | 135.41 |
| 4'' (CH2) | 39.66 |
| 5'' (CH2) | 26.56 |
| 6'' (CH) | 124.12 |
| 7'' (C) | 131.19 |
| 8'' (CH3) | 25.52 |
| 9'' (CH3) | 16.23 |
| 10'' (CH3) | 17.57 |
