Spektraris NMR
Interruptin B
Common Name: Interruptin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H18O5/c1-15-23(28)21-18(17-10-6-3-7-11-17)14-20(27)30-25(21)22(24(15)29)19(26)13-12-16-8-4-2-5-9-16/h2-14,28-29H,1H3/b13-12+
InChIKey: InChIKey=UNHKDNPFEKYKRG-OUKQBFOZSA-N
Formula: C25H18O5
Molecular Weight: 398.408356
Exact Mass: 398.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Quadri-Spinelli T., Heilman J., Rali T., Sticher O. Planta Med (2000) 66, 728
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 158.5 |
| 3 (CH) | 112.1 |
| 4 (C) | 153.7 |
| 5 (C) | 156.9 |
| 6 (C) | 109.4 |
| 7 (C) | 167.5 |
| 8 (C) | 104.7 |
| 9 (C) | 155 |
| 10 (C) | 100.3 |
| 1' (C) | 136 |
| 2' (CH) | 127.6 |
| 3' (CH) | 130 |
| 4' (CH) | 130.7 |
| 5' (CH) | 130 |
| 6' (CH) | 127.6 |
| 6a (CH3) | 7.6 |
| 8a (C) | 192.8 |
| 8b (CH) | 126.4 |
| 8c (CH) | 145 |
| 8d (C) | 135 |
| 8e (CH) | 128.9 |
| 8f (CH) | 129 |
| 8g (CH) | 130.6 |
| 8h (CH) | 129 |
| 8i (CH) | 128.9 |
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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.