Spektraris NMR
Cimiracemate A
Common Name: Cimiracemate A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O7/c1-25-18-6-3-12(9-17(18)23)4-7-19(24)26-11-14(20)8-13-2-5-15(21)16(22)10-13/h2-7,9-10,21-23H,8,11H2,1H3/b7-4+
InChIKey: InChIKey=BZBZUGSXRITWQR-QPJJXVBHSA-N
Formula: C19H18O7
Molecular Weight: 358.34275
Exact Mass: 358.105253
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 |
| 7 (C) | 151.7 |
| 8 (CH) | 112.5 |
| 9 (CH) | 123 |
| 1' (CH2) | 68.5 |
| 2' (C) | 204.5 |
| 3' (CH2) | 46.3 |
| 4' (C) | 126 |
| 5' (CH) | 117.6 |
| 6' (C) | 146.6 |
| 7' (C) | 145.7 |
| 8' (CH) | 116.5 |
| 9' (CH) | 122 |
| 7a (CH3) | 56.4 |
