Spektraris NMR
Securixanthone A
Common Name: Securixanthone A
Synonyms: Securixanthone A
CAS Registry Number:
InChI: InChI=1S/C15H12O7/c1-20-14-6(16)3-4-8-11(14)12(18)10-9(22-8)5-7(17)15(21-2)13(10)19/h3-5,16-17,19H,1-2H3
InChIKey: InChIKey=KUNUETKBUPYSON-UHFFFAOYSA-N
Formula: C15H12O7
Molecular Weight: 304.252162
Exact Mass: 304.058303
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yang, X.D., Xu, L.Z., Yang, S.L. Phytochemistry (2001) 58, 1245-9
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) | 154.3 |
| 2 (C) | 130.3 |
| 3 (C) | 158.3 |
| 4 (CH) | 93 |
| 4a (C) | 151.9 |
| 5 (CH) | 113 |
| 6 (CH) | 124.1 |
| 7 (C) | 146.8 |
| 8 (C) | 145.1 |
| 8a (C) | 114.3 |
| 9 (C) | 180.5 |
| 9a (C) | 102.5 |
| 10a (C) | 149.3 |
| 1' (CH3) | 60.9 |
| 1'' (CH3) | 59.8 |
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