Spektraris NMR
Atractyloside G
Common Name: Atractyloside G
Synonyms: Atractyloside G
CAS Registry Number:
InChI: InChI=1S/C21H36O8/c1-10-12-7-11(5-6-21(12,4)8-13(23)15(10)24)20(2,3)29-19-18(27)17(26)16(25)14(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-,16-,17+,18-,19+,21+/m1/s1
InChIKey: InChIKey=LDPAVRBHBSJMIE-ZHHGUSBESA-N
Formula: C21H36O8
Molecular Weight: 416.50656
Exact Mass: 416.241018
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Kamoshita, A., Ishikawa, T., Takano, A., Fukuda, T., Isoda, S., Ida, Y. Chem Pharm Bull (2003) 51, 673-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 49.3 |
| 2 (CH) | 73.41 |
| 3 (CH) | 79.62 |
| 4 (C) | 152.33 |
| 5 (CH) | 48.53 |
| 6 (CH2) | 25.43 |
| 7 (CH) | 48.57 |
| 8 (CH2) | 22.38 |
| 9 (CH2) | 41.1 |
| 10 (C) | 35.46 |
| 11 (C) | 79.5 |
| 12 (CH3) | 24.13 |
| 13 (CH3) | 24.79 |
| 14 (CH3) | 17.82 |
| 15 (CH2) | 104.83 |
| 1' (CH) | 98.71 |
| 2' (CH) | 75.41 |
| 3' (CH) | 78.94 |
| 4' (CH) | 71.99 |
| 5' (CH) | 78.03 |
| 6' (CH2) | 63.14 |
