Spektraris NMR
Shamixanthone
Common Name: Shamixanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O5/c1-12(2)6-7-15-8-9-17(26)19-23(28)20-18(30-25(15)19)10-14(5)24-21(20)22(27)16(11-29-24)13(3)4/h6,8-10,16,22,26-27H,3,7,11H2,1-2,4-5H3/t16-,22-/m1/s1
InChIKey: InChIKey=MXGMZMKTWCNKRS-OPAMFIHVSA-N
Formula: C25H26O5
Molecular Weight: 406.471882
Exact Mass: 406.178024
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) | 159.7 |
| 2 (CH) | 109.8 |
| 3 (CH) | 136.6 |
| 4 (C) | 109.2 |
| 4a (C) | 152.8 |
| 5 (CH) | 119.4 |
| 6 (C) | 138.4 |
| 7 (C) | 149.4 |
| 8 (C) | 120.9 |
| 8a (C) | 116.7 |
| 9 (C) | 184.5 |
| 9a (C) | 118.9 |
| 10a (C) | 152.3 |
| 1' (CH2) | 27.5 |
| 2' (CH) | 121.7 |
| 3' (C) | 133.3 |
| 4' (CH3) | 17.9 |
| 5' (CH3) | 25.8 |
| 1'' (CH) | 63.2 |
| 2'' (CH) | 44.9 |
| 3'' (CH2) | 64.6 |
| 4'' (C) | 142.6 |
| 5'' (CH2) | 112.3 |
| 6'' (CH3) | 22.6 |
| 6a (CH3) | 17.5 |
