Spektraris NMR
Dictamnoside K
Common Name: Dictamnoside K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H38O10/c1-19(2,28)10-4-7-21(9-23)12(24)5-6-20(3,29)17(21)16(10)31-18-15(27)14(26)13(25)11(8-22)30-18/h10-18,22-29H,4-9H2,1-3H3/t10-,11-,12+,13-,14+,15-,16-,17+,18+,20+,21+/m1/s1
InChIKey: InChIKey=WYZMMUAUJZZQCB-SXULLJIRSA-N
Formula: C21H38O10
Molecular Weight: 450.521252
Exact Mass: 450.246497
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) | 82.6 |
| 2 (CH2) | 29.3 |
| 3 (CH2) | 42.1 |
| 4 (C) | 74.4 |
| 5 (CH) | 56.4 |
| 6 (CH) | 81.9 |
| 7 (CH) | 47.5 |
| 8 (CH2) | 21.3 |
| 9 (CH2) | 29.2 |
| 10 (C) | 46 |
| 11 (C) | 77 |
| 12 (CH3) | 31.3 |
| 13 (CH3) | 31.7 |
| 14 (CH2) | 64 |
| 15 (CH3) | 32.3 |
| 1' (CH) | 104.9 |
| 2' (CH) | 75.9 |
| 3' (CH) | 78.6 |
| 4' (CH) | 72.3 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63.3 |
