Spektraris NMR
Canthoside C
Common Name: Canthoside C
Synonyms: Canthoside C
CAS Registry Number:
InChI: InChI=1S/C18H26O12/c1-26-10-4-8(2-3-9(10)20)29-16-14(23)13(22)12(21)11(30-16)5-27-17-15(24)18(25,6-19)7-28-17/h2-4,11-17,19-25H,5-7H2,1H3/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
InChIKey: InChIKey=OWKFGCITOQSEDP-FQXXIRCGSA-N
Formula: C18H26O12
Molecular Weight: 434.392565
Exact Mass: 434.142426
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Kamoshita, A., Ishikawa, T., Takano, A., Fukuda, T., Isoda, S., Ida, Y. Chem Pharm Bull (2003) 51, 152-7
Species:
Notes: Family : Aromatics, Type : Benzenes; 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) | 152.25 |
| 2 (CH) | 103.73 |
| 3 (C) | 148.97 |
| 4 (C) | 143.49 |
| 5 (CH) | 116.52 |
| 6 (CH) | 109.93 |
| 1' (CH) | 104.11 |
| 2' (CH) | 75.04 |
| 3' (CH) | 78.59 |
| 4' (CH) | 71.73 |
| 5' (CH) | 77.27 |
| 6' (CH2) | 69.03 |
| 1'' (CH) | 111.14 |
| 2'' (CH) | 77.79 |
| 3'' (C) | 80.42 |
| 4'' (CH2) | 75.04 |
| 5'' (CH2) | 65.49 |
| 3a (CH3) | 55.93 |
