Spektraris NMR
(R)-(-)Caussequinone
Common Name: (R)-(-)Caussequinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H14O5/c1-20-16-7-13(18)12(6-14(16)19)10-4-9-2-3-11(17)5-15(9)21-8-10/h2-3,5-7,10,17H,4,8H2,1H3/t10-/m0/s1
InChIKey: InChIKey=PDAKXMIQFUHWQC-JTQLQIEISA-N
Formula: C16H14O5
Molecular Weight: 286.27997
Exact Mass: 286.084124
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Hamburger, M.O., Cordell, G.A., Tantivatana, P., Ruangrungsi, N. J Nat Prod (1987) 50, 696-9
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 67.9 |
| 3 (CH) | 30.6 |
| 4 (CH2) | 28.8 |
| 5 (CH) | 130 |
| 6 (CH) | 107.9 |
| 7 (C) | 156.6 |
| 8 (CH) | 102.5 |
| 9 (C) | 154.2 |
| 10 (C) | 111.3 |
| 1' (C) | 148.4 |
| 2' (CH) | 130.4 |
| 3' (C) | 181.7 |
| 4' (C) | 158.3 |
| 5' (CH) | 108.4 |
| 6' (C) | 186.5 |
| 4'a (CH3) | 56.3 |
