Spektraris NMR
Cimiracemate C
Common Name: Cimiracemate C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O8/c1-26-18-7-3-12(9-16(18)23)4-8-19(25)28-11-17(24)20(27-2)13-5-6-14(21)15(22)10-13/h3-10,20-23H,11H2,1-2H3/b8-4+
InChIKey: InChIKey=CHXPHFPEBKXQNH-XBXARRHUSA-N
Formula: C20H20O8
Molecular Weight: 388.368772
Exact Mass: 388.115818
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chen S.N., Fabricant D.S., Lu Z.-Z., Zhang H., Fong H.H.S., Farnsworth N.R. Phytochemistry (2002) 61, 409-13
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) | 168.1 |
| 2 (CH) | 115.2 |
| 3 (CH) | 147.4 |
| 4 (C) | 128.8 |
| 5 (CH) | 114.8 |
| 6 (C) | 148.1 |
| 7 (C) | 151.7 |
| 8 (CH) | 112.5 |
| 9 (CH) | 123 |
| 1' (CH2) | 66.9 |
| 2' (C) | 203.6 |
| 3' (CH) | 88.2 |
| 4' (C) | 127.9 |
| 5' (CH) | 115.5 |
| 6' (C) | 147.4 |
| 7' (C) | 147 |
| 8' (CH) | 116.5 |
| 9' (CH) | 120.7 |
| 7a (CH3) | 56.4 |
| 3'a (CH3) | 57.1 |
