Spektraris NMR
Oncocalyxona D
Common Name: Oncocalyxona D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O6/c1-17-6-8-12(9(18)5-10(22-2)14(8)20)15-13(17)7(16(21)23-15)3-4-11(17)19/h5,7,11,13,15-16,19,21H,3-4,6H2,1-2H3/t7-,11-,13-,15-,16-,17-/m1/s1
InChIKey: InChIKey=SHGWCPBDDUXIMK-XXJOIQNMSA-N
Formula: C17H20O6
Molecular Weight: 320.337755
Exact Mass: 320.125988
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Costa, J.G.M., Pessoa, O.D.L., Monte, F.J.Q., Menezes, E.A., Lemos, T.L.G. Quim Nova (2005) 28, 591-5
Species:
Notes: Family : Aromatics, Type : Benzoquinones; 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) | 182.6 |
| 2 (C) | 159.1 |
| 3 (CH) | 107.2 |
| 4 (C) | 187 |
| 4a (C) | 138.1 |
| 5 (CH) | 43.3 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 22.3 |
| 8 (CH) | 76.8 |
| 8a (C) | 37.2 |
| 9 (CH2) | 30.1 |
| 9a (C) | 138.6 |
| 10 (CH) | 70.9 |
| 10a (CH) | 45.7 |
| 1' (CH) | 97.5 |
| 1'' (CH3) | 22.9 |
| 2a (CH3) | 55.5 |
