Spektraris NMR
Canthoside D
Common Name: Canthoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H26O12/c1-26-10-4-8(20)2-3-9(10)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=WRMWKBAFARUWLX-FQXXIRCGSA-N
Formula: C18H26O12
Molecular Weight: 434.392565
Exact Mass: 434.142426
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom T., Kasai R., Yamasaki K. Phytochemistry (2002) 61, 461-4
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) | 154.9 |
| 2 (C) | 152 |
| 3 (CH) | 101.9 |
| 4 (C) | 141 |
| 5 (CH) | 107.7 |
| 6 (CH) | 120.6 |
| 1' (CH) | 104.3 |
| 2' (CH) | 75 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77 |
| 6' (CH2) | 68.6 |
| 1'' (CH) | 110.9 |
| 2'' (CH) | 77.8 |
| 3'' (C) | 80.5 |
| 4'' (CH2) | 75.2 |
| 5'' (CH2) | 65.7 |
| 2a (CH3) | 56.6 |
