Spektraris NMR
Hypericum xanthone
Common Name: Hypericum xanthone
Synonyms: Hypericum xanthone
CAS Registry Number:
InChI: InChI=1S/C23H24O5/c1-11(2)12-8-14(23(3,4)10-12)18-16(25)9-17-19(21(18)27)20(26)13-6-5-7-15(24)22(13)28-17/h5-7,9,12,14,24-25,27H,1,8,10H2,2-4H3/t12-,14+/m0/s1
InChIKey: InChIKey=AUUIZUXRGRVPCU-GXTWGEPZSA-N
Formula: C23H24O5
Molecular Weight: 380.434528
Exact Mass: 380.162374
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gamiotea-Turro, D., Cuesta-Rubio, O., Prieto-Gonzalez, S., De Simone, F., Passi, S., Rastrelli, L. J Nat Prod (2004) 67, 869-71
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) | 163.5 |
| 2 (C) | 112.2 |
| 3 (C) | 166.6 |
| 4 (CH) | 94.8 |
| 4a (C) | 157.2 |
| 5 (C) | 146.5 |
| 6 (CH) | 121.3 |
| 7 (CH) | 124.7 |
| 8 (CH) | 116.6 |
| 8a (C) | 122.7 |
| 9 (C) | 182.3 |
| 9a (C) | 104.3 |
| 10a (C) | 147.3 |
| 1' (CH) | 44.8 |
| 2' (C) | 46.2 |
| 3' (CH2) | 49.2 |
| 4' (CH) | 45.4 |
| 5' (CH2) | 33.7 |
| 6' (C) | 150.8 |
| 7' (CH2) | 108.3 |
| 8' (CH3) | 21.3 |
| 9' (CH3) | 30.7 |
| 10' (CH3) | 25.3 |
