Spektraris NMR
1,8-Dihydroxy-3-[(2-methoxy-3-methyl-3-butenyl)oxy]-6-methyl-9H-xanthene-9-one
![1,8-Dihydroxy-3-[(2-methoxy-3-methyl-3-butenyl)oxy]-6-methyl-9H-xanthene-9-one](/nmr/static/nmr/svg/12592.svg)
Common Name: 1,8-Dihydroxy-3-[(2-methoxy-3-methyl-3-butenyl)oxy]-6-methyl-9H-xanthene-9-one
Synonyms: 1,8-Dihydroxy-3-[(2-methoxy-3-methyl-3-butenyl)oxy]-6-methyl-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C20H20O6/c1-10(2)17(24-4)9-25-12-7-14(22)19-16(8-12)26-15-6-11(3)5-13(21)18(15)20(19)23/h5-8,17,21-22H,1,9H2,2-4H3
InChIKey: InChIKey=UBJVPPOAFJCDQI-UHFFFAOYSA-N
Formula: C20H20O6
Molecular Weight: 356.369963
Exact Mass: 356.125988
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) | 166.8 |
| 2 (CH) | 114.9 |
| 3 (C) | 142 |
| 4 (CH) | 106.2 |
| 4a (C) | 156 |
| 5 (CH) | 99.6 |
| 6 (C) | 167.4 |
| 7 (CH) | 100.5 |
| 8 (C) | 167 |
| 8a (C) | 103.9 |
| 9 (C) | 182 |
| 9a (C) | 104.3 |
| 10a (C) | 153.6 |
| 3a (CH2) | 72.6 |
| 3b (CH) | 75.9 |
| 3c (C) | 144.4 |
| 3d (CH3) | 18.9 |
| 3ba (CH3) | 59 |
| 3ca (CH2) | 113 |
| 6a (CH3) | 22.5 |
