Spektraris NMR
Tajixanthone hydrate
Common Name: Tajixanthone hydrate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O7/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(26)7-6-13(24(18)32-16)9-17(27)25(4,5)30/h6-8,14,17,21,26-28,30H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1
InChIKey: InChIKey=SLCCOTGLZNLRJS-DAESXHAQSA-N
Formula: C25H28O7
Molecular Weight: 440.486573
Exact Mass: 440.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pornpakakul, S., Liangsakul, J., Ngamrojanavanich, N., Roengsumran, S., Sihanonth, P., Piapukiew, J., Sangvichien, E., Puthong, S., Petsom, A. Arch Pharm Res (2006) 29, 140-4
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) | 160.3 |
| 2 (CH) | 109.9 |
| 3 (CH) | 138.3 |
| 4 (C) | 109.2 |
| 4a (C) | 153.1 |
| 5 (CH) | 119.1 |
| 6 (C) | 138.5 |
| 7 (C) | 149.5 |
| 8 (C) | 120.8 |
| 8a (C) | 116.8 |
| 9 (C) | 184.3 |
| 9a (C) | 116.3 |
| 10a (C) | 151.9 |
| 1' (CH2) | 32 |
| 2' (CH) | 77.7 |
| 3' (C) | 72.9 |
| 4' (CH3) | 26.5 |
| 5' (CH3) | 23.6 |
| 1'' (CH) | 63.2 |
| 2'' (CH) | 44.8 |
| 3'' (CH2) | 64.5 |
| 4'' (C) | 142.5 |
| 5'' (CH2) | 112.3 |
| 6'' (CH3) | 22.6 |
| 6a (CH3) | 17.4 |
