Spektraris NMR
actinidione
Common Name: actinidione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O6/c1-26-20-18(24)14-6-4-3-5-13(22)9-7-12-8-10-16(23)15(11-12)17(14)19(25)21(20)27-2/h8,10-11,13,22-23H,3-7,9H2,1-2H3
InChIKey: InChIKey=BYPFMKISMDPPHB-UHFFFAOYSA-N
Formula: C21H24O6
Molecular Weight: 372.412461
Exact Mass: 372.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guo, H., Li, B.G., Wu, Z.J., Zhang, G.L. Planta Med (2006) 72, 180-3
Species:
Notes: Family : Aromatics, Type : Biphenyl-cyclophanes; 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) | 120.7 |
| 2 (C) | 141 |
| 3 (C) | 184.1 |
| 4 (C) | 144.9 |
| 5 (C) | 144.4 |
| 6 (C) | 184.2 |
| 7 (C) | 146.5 |
| 8 (CH2) | 26.3 |
| 9 (CH2) | 24.1 |
| 10 (CH2) | 39.8 |
| 11 (CH2) | 34.6 |
| 12 (CH) | 72.1 |
| 13 (CH2) | 39.8 |
| 14 (CH2) | 33.6 |
| 15 (C) | 133.7 |
| 16 (CH) | 130.5 |
| 17 (CH) | 117.5 |
| 18 (C) | 151 |
| 19 (CH) | 131.1 |
| 4a (CH3) | 61.2 |
| 5a (CH3) | 61.3 |
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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.