Spektraris NMR
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Common Name: 1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Synonyms: 1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
InChIKey: InChIKey=GVQOVMKBYJKZSY-UHFFFAOYSA-N
Formula: C23H24O5
Molecular Weight: 380.434528
Exact Mass: 380.162374
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Nguyen, L.H., Vo, H.T., Pham, H.D., Connolly, J.D., Harrison, L.J. Phytochemistry (2003) 63, 467-70
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) | 159.8 |
| 2 (C) | 111.6 |
| 3 (C) | 162 |
| 4 (C) | 107.8 |
| 4a (C) | 153.9 |
| 5 (C) | 147.6 |
| 6 (CH) | 121.6 |
| 7 (CH) | 124.9 |
| 8 (CH) | 116.6 |
| 8a (C) | 122.5 |
| 9 (C) | 182.5 |
| 9a (C) | 104.2 |
| 10a (C) | 146.8 |
| 1' (CH2) | 22.8 |
| 2' (CH) | 123.6 |
| 3' (C) | 133 |
| 4' (CH3) | 18.5 |
| 5' (CH3) | 26.34 |
| 1'' (CH2) | 22.5 |
| 2'' (CH) | 123.4 |
| 3'' (C) | 132.9 |
| 4'' (CH3) | 18.4 |
| 5'' (CH3) | 26.26 |
