Spektraris NMR
1''-acetylaporpinone B
Common Name: 1''-acetylaporpinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H10O5/c1-8(13)15-6-9(2-3-10-7-16-10)11-4-5-12(14)17-11/h4-5,10H,6-7H2,1H3/b11-9+
InChIKey: InChIKey=ACUGOKQSBBMKIL-PKNBQFBNSA-N
Formula: C12H10O5
Molecular Weight: 234.205263
Exact Mass: 234.052823
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - M., Wright J.E., Seldes A.M Phytochemistry (2003) 62, 239-43
Species:
Notes: Family : Miscellanea, Type : Butanolides; 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) | 167.9 |
| 3 (CH) | 121.8 |
| 4 (CH) | 139.6 |
| 5 (C) | 156.9 |
| 1' (C) | 101.9 |
| 2' (C) | 78 |
| 3' (C) | 98.3 |
| 4' (CH) | 49.2 |
| 5' (CH2) | 40.1 |
| 1'' (CH2) | 60.5 |
| 2'' (C) | 170.5 |
| 3'' (CH3) | 20.8 |
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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.