Spektraris NMR
1,8-Dihydroxy-3-[(4-hydroxy-3-methyl-2-butenyl)oxy]-6-methyl-9H-xanthene-9-one
![1,8-Dihydroxy-3-[(4-hydroxy-3-methyl-2-butenyl)oxy]-6-methyl-9H-xanthene-9-one](/nmr/static/nmr/svg/12596.svg)
Common Name: 1,8-Dihydroxy-3-[(4-hydroxy-3-methyl-2-butenyl)oxy]-6-methyl-9H-xanthene-9-one
Synonyms: 1,8-Dihydroxy-3-[(4-hydroxy-3-methyl-2-butenyl)oxy]-6-methyl-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C19H18O6/c1-10(9-20)3-4-24-12-7-14(22)18-16(8-12)25-15-6-11(2)5-13(21)17(15)19(18)23/h3,5-8,20-22H,4,9H2,1-2H3/b10-3+
InChIKey: InChIKey=ZLHOXNDIHMXOPF-XCVCLJGOSA-N
Formula: C19H18O6
Molecular Weight: 342.343345
Exact Mass: 342.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bilia, A.R., Yusuf, A.W., Braca, A., Keita, A., Morelli, I. J Nat Prod (2000) 63, 16-21
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) | 166.6 |
| 2 (CH) | 115.8 |
| 3 (C) | 141.8 |
| 4 (CH) | 106.8 |
| 4a (C) | 154.9 |
| 5 (CH) | 98.9 |
| 6 (C) | 168.2 |
| 7 (CH) | 100.6 |
| 8 (C) | 167.2 |
| 8a (C) | 104 |
| 9 (C) | 182.6 |
| 9a (C) | 104.6 |
| 10a (C) | 153 |
| 3a (CH2) | 65.9 |
| 3b (CH) | 121.8 |
| 3c (C) | 140 |
| 3d (CH2) | 68.6 |
| 3e (CH3) | 14.9 |
| 6a (CH3) | 22.5 |
