Spektraris NMR
Annulatin
Common Name: Annulatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O8/c1-23-16-14(22)12-8(18)4-7(17)5-11(12)24-15(16)6-2-9(19)13(21)10(20)3-6/h2-5,17-21H,1H3
InChIKey: InChIKey=XWTLYULBWZQAAZ-UHFFFAOYSA-N
Formula: C16H12O8
Molecular Weight: 332.262303
Exact Mass: 332.053217
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Seidel, V., Bailleul, F., Waterman, P.G. Phytochemistry (2000) 55, 439-46
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanonols; 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 |
|---|---|
| 2 (C) | 147.4 |
| 3 (C) | 139.4 |
| 4 (C) | 178 |
| 5 (C) | 162.9 |
| 6 (CH) | 99.8 |
| 7 (C) | 166.3 |
| 8 (CH) | 94.8 |
| 9 (C) | 158 |
| 10 (C) | 104.9 |
| 1' (C) | 128.6 |
| 2' (CH) | 109.3 |
| 3' (C) | 152.9 |
| 4' (C) | 139.3 |
| 5' (C) | 152.9 |
| 6' (CH) | 109.3 |
| 3a (CH3) | 60.8 |
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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.