Spektraris NMR
1,3,5-Trihydroxy-2-prenyl-9H-xanthene-9-one
Common Name: 1,3,5-Trihydroxy-2-prenyl-9H-xanthene-9-one
Synonyms: 1,3,5-Trihydroxy-2-prenyl-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-9(2)6-7-10-13(20)8-14-15(16(10)21)17(22)11-4-3-5-12(19)18(11)23-14/h3-6,8,19-21H,7H2,1-2H3
InChIKey: InChIKey=XEHWUYVZHDBZHK-UHFFFAOYSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
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) | 159.94 |
| 2 (C) | 110.25 |
| 3 (C) | 163.49 |
| 4 (CH) | 93.36 |
| 4a (C) | 155.12 |
| 5 (C) | 146.01 |
| 6 (CH) | 120.03 |
| 7 (CH) | 122.39 |
| 8 (CH) | 114.78 |
| 8a (C) | 121.11 |
| 9 (C) | 180.28 |
| 9a (C) | 102.21 |
| 10a (C) | 144.92 |
| 2a (CH2) | 21.07 |
| 2b (CH) | 123.35 |
| 2c (C) | 130.59 |
| 2d (CH3) | 17.71 |
| 2ca (CH3) | 25.63 |
