Common Name: Termicalcicolanone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O6/c1-11(2)5-6-12-14(24)7-8-15-16(12)19(26)17-18(25)13-9-10-23(3,4)29-21(13)20(27)22(17)28-15/h5,7-10,24-25,27H,6H2,1-4H3
InChIKey: InChIKey=LIBMYNVOSDZKIY-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)
Position | PPM |
---|---|
1 (C) | 149.1 |
2 (C) | 103 |
3 (C) | 149.1 |
4 (C) | 144.6 |
4a (C) | 148.1 |
5 (CH) | 115.1 |
6 (CH) | 123.4 |
7 (C) | 151.5 |
8 (C) | 128.3 |
8a (C) | 117.8 |
9 (C) | 183.2 |
9a (C) | 103.3 |
10a (C) | 150.4 |
1' (CH) | 116.1 |
2' (CH) | 127 |
3' (C) | 77.8 |
4' (CH3) | 27.7 |
5' (CH3) | 27.7 |
1'' (CH2) | 25.6 |
2'' (CH) | 124.7 |
3'' (C) | 130.3 |
4'' (CH3) | 18 |
5'' (CH3) | 25.1 |