Spektraris NMR
2,4,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
Common Name: 2,4,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
Synonyms: 2,4,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-8(2)3-4-10-11(20)7-13(22)18-15(10)17(23)16-12(21)5-9(19)6-14(16)24-18/h3,5-7,19-22H,4H2,1-2H3
InChIKey: InChIKey=BRERQMIMCLBRCS-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
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) | 163.8 |
| 2 (CH) | 98.4 |
| 3 (C) | 165.2 |
| 4 (CH) | 93.7 |
| 4a (C) | 157.3 |
| 5 (C) | 152.8 |
| 6 (CH) | 101 |
| 7 (C) | 141.8 |
| 8 (C) | 110.8 |
| 8a (C) | 128.5 |
| 9 (C) | 182.4 |
| 9a (C) | 103 |
| 10a (C) | 153.5 |
| 1' (CH2) | 26.2 |
| 2' (CH) | 124.5 |
| 3' (C) | 131 |
| 4' (CH3) | 26.5 |
| 5' (CH3) | 18.9 |
