Spektraris NMR
Canthoside A
Common Name: Canthoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O12/c1-27-16(25)9-4-2-3-5-10(9)30-17-14(23)13(22)12(21)11(31-17)6-28-18-15(24)19(26,7-20)8-29-18/h2-5,11-15,17-18,20-24,26H,6-8H2,1H3/t11-,12-,13+,14-,15+,17-,18-,19-/m1/s1
InChIKey: InChIKey=ZOIVCDCWDFQVRB-XLBSEFGXSA-N
Formula: C19H26O12
Molecular Weight: 446.403301
Exact Mass: 446.142426
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) | 122.4 |
| 2 (C) | 158.7 |
| 3 (CH) | 119.2 |
| 4 (CH) | 135.2 |
| 5 (CH) | 123.7 |
| 6 (CH) | 132.1 |
| 1' (CH) | 104.1 |
| 2' (CH) | 75 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.5 |
| 5' (CH) | 77.3 |
| 6' (CH2) | 68.8 |
| 1'' (CH) | 111.1 |
| 2'' (CH) | 77.6 |
| 3'' (C) | 80.5 |
| 4'' (CH2) | 75 |
| 5'' (CH2) | 65.5 |
| 1a (C) | 168.5 |
| 1b (CH3) | 52.8 |
