Spektraris NMR
4-(1,1-Dimethyl-2-propenyl)-1,3,5,8-tetrahydroxy-9H-xanthene-9-one
Common Name: 4-(1,1-Dimethyl-2-propenyl)-1,3,5,8-tetrahydroxy-9H-xanthene-9-one
Synonyms: 4-(1,1-Dimethyl-2-propenyl)-1,3,5,8-tetrahydroxy-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-4-18(2,3)14-11(22)7-10(21)13-15(23)12-8(19)5-6-9(20)16(12)24-17(13)14/h4-7,19-22H,1H2,2-3H3
InChIKey: InChIKey=DUWAPFJOOSCTIW-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shadid, K.A., Shaari, K., Abas, F., Israf, D.A., Hamzah, A.S., Syakroni, N., Saha, K., Lajis, N.H. Phytochemistry (2007) 68, 2537-44
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) | 161.6 |
| 2 (CH) | 101 |
| 3 (C) | 163.4 |
| 4 (C) | 111.5 |
| 4a (C) | 155.5 |
| 5 (C) | 136.3 |
| 6 (CH) | 123.3 |
| 7 (CH) | 110.2 |
| 8 (C) | 153.7 |
| 8a (C) | 107.2 |
| 9 (C) | 185.1 |
| 9a (C) | 103.4 |
| 10a (C) | 143 |
| 1' (C) | 41.6 |
| 2' (CH) | 152.2 |
| 3' (CH2) | 109.6 |
| 4' (CH3) | 28.3 |
| 5' (CH3) | 28.3 |
