Spektraris NMR
Shionoside B
Common Name: Shionoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O10/c1-9-14(23)16(25)18(27)20(31-9)30-8-13-15(24)17(26)19(28)21(32-13)29-7-12-10-4-5-11(6-10)22(12,2)3/h9-21,23-28H,4-8H2,1-3H3/t9-,10+,11+,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-/m1/s1
InChIKey: InChIKey=AEOXKDYZLWKANW-SKTRQHGRSA-N
Formula: C22H38O10
Molecular Weight: 462.531988
Exact Mass: 462.246497
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) | 49.9 |
| 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) | 77.1 |
| 6' (CH2) | 68.5 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 72.3 |
| 3'' (CH) | 72.7 |
| 4'' (CH) | 74 |
| 5'' (CH) | 69.7 |
| 6'' (CH3) | 20.7 |
