Spektraris NMR
Tajixanthone methanoate
Common Name: Tajixanthone methanoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O7/c1-12(2)15-11-32-24-13(3)9-17-20(21(24)22(15)29)23(30)19-16(27)8-7-14(25(19)33-17)10-18(28)26(4,5)31-6/h7-9,15,18,22,27-29H,1,10-11H2,2-6H3/t15-,18+,22-/m1/s1
InChIKey: InChIKey=QWNQVPWHVUVFIF-FXCLAUTBSA-N
Formula: C26H30O7
Molecular Weight: 454.51319
Exact Mass: 454.199153
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) | 160.2 |
| 2 (CH) | 109.9 |
| 3 (CH) | 138.2 |
| 4 (C) | 109.2 |
| 4a (C) | 153 |
| 5 (CH) | 119.1 |
| 6 (C) | 138.3 |
| 7 (C) | 149.5 |
| 8 (C) | 121 |
| 8a (C) | 116.9 |
| 9 (C) | 184.4 |
| 9a (C) | 116.8 |
| 10a (C) | 152 |
| 1' (CH2) | 31.2 |
| 2' (CH) | 76.5 |
| 3' (C) | 77.3 |
| 4' (CH3) | 19.2 |
| 5' (CH3) | 20.9 |
| 1'' (CH) | 63.2 |
| 2'' (CH) | 44.9 |
| 3'' (CH2) | 64.5 |
| 4'' (C) | 142.5 |
| 5'' (CH2) | 112.3 |
| 6'' (CH3) | 22.5 |
| 6a (CH3) | 17.4 |
| 3'a (CH3) | 49.2 |
