Spektraris NMR
2,4,8-trihydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
Common Name: 2,4,8-trihydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
Synonyms: 2,4,8-trihydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-9(2)6-7-10-12(20)8-13(21)18-15(10)17(22)16-11(19)4-3-5-14(16)23-18/h3-6,8,19-21H,7H2,1-2H3
InChIKey: InChIKey=DLDSNYULQYVJNR-UHFFFAOYSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhang, Z., ElSohly, H.N., Jacob, M.R., Pasco, D.S., Walker, L.A., Clark, A.M. Planta Med (2002) 68, 49-54
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) | 161.2 |
| 2 (CH) | 109.5 |
| 3 (CH) | 135.9 |
| 4 (CH) | 106.2 |
| 4a (C) | 154.9 |
| 5 (C) | 152.6 |
| 6 (CH) | 100.1 |
| 7 (C) | 141.4 |
| 8 (C) | 110.1 |
| 8a (C) | 127.4 |
| 9 (C) | 182.7 |
| 9a (C) | 108.3 |
| 10a (C) | 153.9 |
| 1' (CH2) | 25.4 |
| 2' (CH) | 123.5 |
| 3' (C) | 130.4 |
| 4' (CH3) | 25.7 |
| 5' (CH3) | 18.1 |
