Spektraris NMR
Aucubin
Common Name: Aucubin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
InChIKey: InChIKey=RJWJHRPNHPHBRN-FKVJWERZSA-N
Formula: C15H22O9
Molecular Weight: 346.330379
Exact Mass: 346.126382
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Gutierrez, R.M.P., Rangel, R.F., Baez, E.G. Chem Nat Compd (2008) 44, 35-8
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 96.82 |
| 3 (CH) | 142.41 |
| 4 (CH) | 106.71 |
| 5 (CH) | 46.11 |
| 6 (CH) | 82.34 |
| 7 (CH) | 130.18 |
| 8 (C) | 147.76 |
| 9 (CH) | 47.87 |
| 10 (CH2) | 61.44 |
| 1' (CH) | 99.97 |
| 2' (CH) | 73.9 |
| 3' (CH) | 78.05 |
| 4' (CH) | 70.94 |
| 5' (CH) | 77.61 |
| 6' (CH2) | 63.2 |
