Spektraris NMR
Dictamnoside I
Common Name: Dictamnoside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H38O9/c1-19(2,27)10-5-7-20(3)12(23)6-8-21(4,28)17(20)16(10)30-18-15(26)14(25)13(24)11(9-22)29-18/h10-18,22-28H,5-9H2,1-4H3/t10-,11-,12+,13-,14+,15-,16-,17-,18+,20-,21-/m1/s1
InChIKey: InChIKey=VGXNFZRPOVNSBV-CVZITTISSA-N
Formula: C21H38O9
Molecular Weight: 434.521847
Exact Mass: 434.251583
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Chang, J., Xuan, L.J., Xu, Y.M., Zhang, J.S. J Nat Prod (2001) 64, 935-8
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 (CH) | 81.5 |
| 2 (CH2) | 29.8 |
| 3 (CH2) | 42.6 |
| 4 (C) | 76.3 |
| 5 (CH) | 58.3 |
| 6 (CH) | 83 |
| 7 (CH) | 46.5 |
| 8 (CH2) | 20.7 |
| 9 (CH2) | 36.5 |
| 10 (C) | 42.3 |
| 11 (C) | 76.8 |
| 12 (CH3) | 31.7 |
| 13 (CH3) | 31.4 |
| 14 (CH3) | 17.2 |
| 15 (CH3) | 24.5 |
| 1' (CH) | 104.5 |
| 2' (CH) | 76.2 |
| 3' (CH) | 78.6 |
| 4' (CH) | 72.6 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 63.5 |
