Spektraris NMR
Calebin A
Common Name: Calebin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+
InChIKey: InChIKey=UYEWRTKHKAVRDI-ASVGJQBISA-N
Formula: C21H20O7
Molecular Weight: 384.380103
Exact Mass: 384.120903
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Park, S.Y., Kim, D.S. J Nat Prod (2002) 65, 1227-31
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 127.4 |
| 2 (CH) | 111.6 |
| 3 (C) | 148.8 |
| 4 (C) | 150.5 |
| 5 (CH) | 116.2 |
| 6 (CH) | 124.5 |
| 7 (CH) | 144.4 |
| 8 (CH) | 120.4 |
| 9 (C) | 192.9 |
| 10 (CH2) | 67.9 |
| 1' (C) | 127.3 |
| 2' (CH) | 111.4 |
| 3' (C) | 148.8 |
| 4' (C) | 150.2 |
| 5' (CH) | 116.1 |
| 6' (CH) | 124.2 |
| 7' (CH) | 146.5 |
| 8' (CH) | 115.1 |
| 9' (C) | 166.9 |
| 3a (CH3) | 56.31 |
| 3'b (CH3) | 56.34 |
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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.