Spektraris NMR
1,8-Dihydroxy-3-[[4-hydroxy-3-(hydroxymethyl)-2-butenyl]oxy]-6-methyl-9H-xanthene-9-one
![1,8-Dihydroxy-3-[[4-hydroxy-3-(hydroxymethyl)-2-butenyl]oxy]-6-methyl-9H-xanthene-9-one](/nmr/static/nmr/svg/12597.svg)
Common Name: 1,8-Dihydroxy-3-[[4-hydroxy-3-(hydroxymethyl)-2-butenyl]oxy]-6-methyl-9H-xanthene-9-one
Synonyms: 1,8-Dihydroxy-3-[[4-hydroxy-3-(hydroxymethyl)-2-butenyl]oxy]-6-methyl-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C19H18O7/c1-10-4-13(22)17-15(5-10)26-16-7-12(6-14(23)18(16)19(17)24)25-3-2-11(8-20)9-21/h2,4-7,20-23H,3,8-9H2,1H3
InChIKey: InChIKey=DKSIXSIYOLEDDG-UHFFFAOYSA-N
Formula: C19H18O7
Molecular Weight: 358.34275
Exact Mass: 358.105253
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) | 166.3 |
| 2 (CH) | 115.5 |
| 3 (C) | 141.9 |
| 4 (CH) | 106.5 |
| 4a (C) | 154.8 |
| 5 (CH) | 99.8 |
| 6 (C) | 167 |
| 7 (CH) | 100.5 |
| 8 (C) | 167.5 |
| 8a (C) | 104 |
| 9 (C) | 181.9 |
| 9a (C) | 104.5 |
| 10a (C) | 153.1 |
| 3a (CH2) | 66 |
| 3b (CH) | 121.6 |
| 3c (C) | 142 |
| 3d (CH2) | 66.1 |
| 3e (CH2) | 59.9 |
| 6a (CH3) | 22.6 |
