Spektraris NMR
Pustuline
Common Name: Pustuline
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O4/c1-8-3-4-9-10(5-8)16(19)11-6-13(17)14(20-2)7-12(11)15(9)18/h3-7,17H,1-2H3
InChIKey: InChIKey=RANOPUOYYZZASD-UHFFFAOYSA-N
Formula: C16H12O4
Molecular Weight: 268.264683
Exact Mass: 268.073559
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Nunez Montoya, S.C., Agnese, A.M., Cabrera, J.L. J Nat Prod (2006) 69, 801-3
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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 (CH) | 112.3 |
| 2 (C) | 152.8 |
| 3 (C) | 152.5 |
| 4 (CH) | 108.7 |
| 4a (C) | 127.9 |
| 5 (CH) | 126.6 |
| 6 (CH) | 134.6 |
| 7 (C) | 144.6 |
| 8 (CH) | 126.4 |
| 8a (C) | 132.9 |
| 9 (C) | 181.9 |
| 9a (C) | 126.6 |
| 10 (C) | 181.2 |
| 10a (C) | 130.9 |
| 3a (CH3) | 55.9 |
| 7a (CH3) | 21.2 |
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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.