Spektraris NMR
1,3,7-Trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-xanthone
Common Name: 1,3,7-Trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-xanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-8(2)12(20)6-10-13(21)7-15-16(17(10)22)18(23)11-5-9(19)3-4-14(11)24-15/h3-5,7,12,19-22H,1,6H2,2H3
InChIKey: InChIKey=DEWSTXLUNINHTJ-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Takaishi, Y. Phytochemistry (2006) 67, 2146-51
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) | 161.8 |
| 2 (C) | 109 |
| 3 (C) | 165.7 |
| 4 (CH) | 95 |
| 4a (C) | 157.2 |
| 5 (CH) | 119.7 |
| 6 (CH) | 124.9 |
| 7 (C) | 154.7 |
| 8 (CH) | 109.3 |
| 8a (C) | 121.7 |
| 9 (C) | 181.2 |
| 9a (C) | 103.2 |
| 10a (C) | 150.7 |
| 1' (CH2) | 30 |
| 2' (CH) | 76.5 |
| 3' (C) | 148.2 |
| 4' (CH2) | 110.4 |
| 5' (CH3) | 18.3 |
