Spektraris NMR
Shionoside A
Common Name: Shionoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O11/c1-20(2)10-4-3-9(5-10)11(20)6-29-18-15(25)14(24)13(23)12(31-18)7-30-19-21(28,8-22)16(26)17(27)32-19/h9-19,22-28H,3-8H2,1-2H3/t9-,10-,11+,12+,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1
InChIKey: InChIKey=YUKTZNBDFMQAEO-WGQPVWAWSA-N
Formula: C21H36O11
Molecular Weight: 464.504775
Exact Mass: 464.225762
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nagao, T., Okabe, H., Yamauchi, T. Chem Pharm Bull (1988) 36, 571-7
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Camphanes; 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 (CH) | 40.8 |
| 2 (CH) | 50 |
| 3 (C) | 37 |
| 4 (CH) | 49.6 |
| 5 (CH2) | 24.9 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 37.4 |
| 8 (CH3) | 32.6 |
| 9 (CH3) | 20.7 |
| 10 (CH2) | 68.4 |
| 1' (CH) | 104.6 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.9 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 68.8 |
| 1'' (CH) | 111.1 |
| 2'' (C) | 77.8 |
| 3'' (CH) | 80.4 |
| 4'' (CH) | 75 |
| 5'' (CH2) | 65.7 |
