Spektraris NMR
4,7-Dihydroxy-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-b]xanthene-5-one
![4,7-Dihydroxy-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-b]xanthene-5-one](/nmr/static/nmr/svg/8509.svg)
Common Name: 4,7-Dihydroxy-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-b]xanthene-5-one
Synonyms: 4,7-Dihydroxy-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-b]xanthene-5-one
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-18(2,22)14-6-10-12(24-14)7-13-15(17(10)21)16(20)9-5-8(19)3-4-11(9)23-13/h3-5,7,14,19,21-22H,6H2,1-2H3
InChIKey: InChIKey=GZXZUJRVFDZPFR-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Takaishi, Y. Phytochemistry (2006) 67, 2146-51
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) | 158 |
| 2 (C) | 108.6 |
| 3 (C) | 168.4 |
| 4 (CH) | 88.9 |
| 4a (C) | 158.7 |
| 5 (CH) | 119.2 |
| 6 (CH) | 124.5 |
| 7 (C) | 154.4 |
| 8 (CH) | 108.7 |
| 8a (C) | 121.3 |
| 9 (C) | 180.8 |
| 9a (C) | 103.6 |
| 10a (C) | 150.3 |
| 1' (CH2) | 26.4 |
| 2' (CH) | 92.5 |
| 3' (C) | 71 |
| 4' (CH3) | 25 |
| 5' (CH3) | 25.5 |
