Spektraris NMR
1,3,5,6-tetra-Hidroxi-2-prenilxantona
Common Name: 1,3,5,6-tetra-Hidroxi-2-prenilxantona
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13-14(15(9)21)16(22)10-5-6-11(19)17(23)18(10)24-13/h3,5-7,19-21,23H,4H2,1-2H3
InChIKey: InChIKey=NPQLJYVRPMRCAL-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Pinheiro, L., Cortez, D.A.G. Quim Nova (2003) 26, 157-60
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) | 164 |
| 2 (C) | 111.4 |
| 3 (C) | 161.7 |
| 4 (CH) | 94.2 |
| 4a (C) | 154.4 |
| 5 (C) | 144.2 |
| 6 (C) | 133.4 |
| 7 (CH) | 113.6 |
| 8 (CH) | 117.4 |
| 8a (C) | 111.6 |
| 9 (C) | 182.8 |
| 9a (C) | 109.3 |
| 10a (C) | 152.7 |
| 1' (CH2) | 22.9 |
| 2' (CH) | 123.5 |
| 3' (C) | 131.6 |
| 4' (CH3) | 17.8 |
| 5' (CH3) | 25.8 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.