Spektraris NMR
Canthoside B
Common Name: Canthoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O13/c1-27-9-3-8(4-10(28-2)12(9)21)31-17-15(24)14(23)13(22)11(32-17)5-29-18-16(25)19(26,6-20)7-30-18/h3-4,11,13-18,20-26H,5-7H2,1-2H3/t11-,13-,14+,15-,16+,17-,18-,19-/m1/s1
InChIKey: InChIKey=BPSJMBKZSUTYNF-CYKPCRQUSA-N
Formula: C19H28O13
Molecular Weight: 464.418587
Exact Mass: 464.152991
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) | 152.2 |
| 2 (CH) | 96.9 |
| 3 (C) | 149.3 |
| 4 (C) | 132.1 |
| 5 (C) | 149.3 |
| 6 (CH) | 96.9 |
| 1' (CH) | 103.7 |
| 2' (CH) | 74.9 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.5 |
| 5' (CH) | 76.8 |
| 6' (CH2) | 68.7 |
| 1'' (CH) | 110.7 |
| 2'' (CH) | 77.8 |
| 3'' (C) | 80.5 |
| 4'' (CH2) | 74.9 |
| 5'' (CH2) | 65.4 |
| 3a (CH3) | 56.9 |
| 5a (CH3) | 56.9 |
