Spektraris NMR
Rubanone
Common Name: Rubanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O6/c1-26-20-14-6-4-3-5-13(22)9-7-12-8-10-16(23)15(11-12)17(18(14)24)21(27-2)19(20)25/h8,10-11,23H,3-7,9H2,1-2H3
InChIKey: InChIKey=BHFARELXZFGRDH-UHFFFAOYSA-N
Formula: C21H22O6
Molecular Weight: 370.39658
Exact Mass: 370.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, D.Y., Liu, E.G., Feng, Y.J. Chin Chem Lett (2008) 19, 547-9
Species:
Notes: Family : Aromatics, Type : Biphenyl-cyclophanes, Group : Diarylheptanoids; 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) | 121.2 |
| 2 (C) | 140.3 |
| 3 (C) | 144.9 |
| 4 (C) | 184 |
| 5 (C) | 144.4 |
| 6 (C) | 146.3 |
| 7 (CH2) | 25.8 |
| 8 (CH2) | 27 |
| 9 (CH2) | 21.2 |
| 10 (CH2) | 42.2 |
| 11 (C) | 213.2 |
| 12 (CH2) | 44.2 |
| 13 (CH2) | 32.9 |
| 14 (C) | 132.9 |
| 15 (CH) | 130.5 |
| 16 (CH) | 118 |
| 17 (C) | 151.5 |
| 18 (CH) | 130.2 |
| 19 (C) | 184.1 |
| 3a (CH3) | 61.3 |
| 5a (CH3) | 61.2 |
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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.