Spektraris NMR
1,8-Dihydroxy-3-[(3-methyl-2-butenyl)oxy]-6-methyl-9H-xanthene-9-one
![1,8-Dihydroxy-3-[(3-methyl-2-butenyl)oxy]-6-methyl-9H-xanthene-9-one](/nmr/static/nmr/svg/12594.svg)
Common Name: 1,8-Dihydroxy-3-[(3-methyl-2-butenyl)oxy]-6-methyl-9H-xanthene-9-one
Synonyms: 1,8-Dihydroxy-3-[(3-methyl-2-butenyl)oxy]-6-methyl-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C19H18O5/c1-10(2)4-5-23-12-8-14(21)18-16(9-12)24-15-7-11(3)6-13(20)17(15)19(18)22/h4,6-9,20-21H,5H2,1-3H3
InChIKey: InChIKey=YCHMIHRTWFOENV-UHFFFAOYSA-N
Formula: C19H18O5
Molecular Weight: 326.34394
Exact Mass: 326.115424
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) | 166.2 |
| 2 (CH) | 116.2 |
| 3 (C) | 142.6 |
| 4 (CH) | 106.7 |
| 4a (C) | 154.6 |
| 5 (CH) | 99.4 |
| 6 (C) | 167.9 |
| 7 (CH) | 100.5 |
| 8 (C) | 167.2 |
| 8a (C) | 103.5 |
| 9 (C) | 182.1 |
| 9a (C) | 104.6 |
| 10a (C) | 152.8 |
| 3a (CH2) | 66.1 |
| 3b (CH) | 121.8 |
| 3c (C) | 143 |
| 3d (CH3) | 26 |
| 3e (CH3) | 17.6 |
| 6a (CH3) | 22.5 |
