Spektraris NMR
Termicalcicolanone B
Common Name: Termicalcicolanone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O6/c1-11(2)5-6-13-18-17(10-15(25)20(13)26)28-22-12-7-8-23(3,4)29-16(12)9-14(24)19(22)21(18)27/h5,7-10,24-26H,6H2,1-4H3
InChIKey: InChIKey=BQNZDKWHGWGLMT-UHFFFAOYSA-N
Formula: C23H22O6
Molecular Weight: 394.418052
Exact Mass: 394.141638
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cao, S., Brodie, P.J., Miller, J.S., Randrianaivo, R., Ratovoson, F., Birkinshaw, C., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G. J Nat Prod (2007) 70, 679-81
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) | 162.5 |
| 2 (CH) | 97.9 |
| 3 (C) | 158.6 |
| 4 (C) | 99.7 |
| 4a (C) | 150.4 |
| 5 (CH) | 99.9 |
| 6 (C) | 155.3 |
| 7 (C) | 142 |
| 8 (C) | 126 |
| 8a (C) | 108.6 |
| 9 (C) | 181.3 |
| 9a (C) | 102.9 |
| 10a (C) | 152.7 |
| 1' (CH) | 114.7 |
| 2' (CH) | 127.2 |
| 3' (C) | 77.9 |
| 4' (CH3) | 27.8 |
| 5' (CH3) | 27.8 |
| 1'' (CH2) | 25.4 |
| 2'' (CH) | 123.8 |
| 3'' (C) | 130 |
| 4'' (CH3) | 18.1 |
| 5'' (CH3) | 25.7 |
