Spektraris NMR
1,3,7-Trihydroxy-2-(3-hydroxy-3-methylbutyl)xanthone
Common Name: 1,3,7-Trihydroxy-2-(3-hydroxy-3-methylbutyl)xanthone
Synonyms: 1,3,7-Trihydroxy-2-(3-hydroxy-3-methylbutyl)xanthone
CAS Registry Number:
InChI: InChI=1S/C18H18O6/c1-18(2,23)6-5-10-12(20)8-14-15(16(10)21)17(22)11-7-9(19)3-4-13(11)24-14/h3-4,7-8,19-21,23H,5-6H2,1-2H3
InChIKey: InChIKey=MPDJBCWZYDZMCW-UHFFFAOYSA-N
Formula: C18H18O6
Molecular Weight: 330.332609
Exact Mass: 330.110338
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cortez, D.A.G., Young, M.C.M., Marston, A., Wolfender, J.L., Hostettmann, K. Phytochemistry (1998) 47, 1367-74
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) | 159.45 |
| 2 (C) | 110.61 |
| 3 (C) | 162.7 |
| 4 (CH) | 92.93 |
| 4a (C) | 155.04 |
| 5 (CH) | 117.72 |
| 6 (CH) | 123.31 |
| 7 (C) | 152.94 |
| 8 (CH) | 108.14 |
| 8a (C) | 120.24 |
| 9 (C) | 179.69 |
| 9a (C) | 101.83 |
| 10a (C) | 148.9 |
| 2a (CH2) | 16.92 |
| 2b (CH2) | 42.06 |
| 2c (C) | 69.83 |
| 2d (CH3) | 29.14 |
| 2ca (CH3) | 29.14 |
