Spektraris NMR
1,3,5-trihydroxy-8-(3-methylbut-2-enyl)xanthen-9-one
Common Name: 1,3,5-trihydroxy-8-(3-methylbut-2-enyl)xanthen-9-one
Synonyms: 1,3,5-trihydroxy-8-(3-methylbut-2-enyl)xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-9(2)3-4-10-5-6-12(20)18-15(10)17(22)16-13(21)7-11(19)8-14(16)23-18/h3,5-8,19-21H,4H2,1-2H3
InChIKey: InChIKey=SZMSRIIZCHESKM-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) | 163.1 |
| 2 (CH) | 97.8 |
| 3 (C) | 165.6 |
| 4 (CH) | 93 |
| 4a (C) | 156.8 |
| 5 (C) | 150.3 |
| 6 (CH) | 123.1 |
| 7 (CH) | 116 |
| 8 (C) | 118.1 |
| 8a (C) | 127.2 |
| 9 (C) | 182.6 |
| 9a (C) | 102.5 |
| 10a (C) | 151.5 |
| 1' (CH2) | 25.1 |
| 2' (CH) | 123.5 |
| 3' (C) | 130.4 |
| 4' (CH3) | 25.7 |
| 5' (CH3) | 18.1 |
