Spektraris NMR
Deacetyl asperulosidic acid
Common Name: Deacetyl asperulosidic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1
InChIKey: InChIKey=ZVXWFPTVHBWJOU-YYFGDFGFSA-N
Formula: C16H22O11
Molecular Weight: 390.339925
Exact Mass: 390.116212
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Li, B., Zhang, D.M., Luo, Y.M., Chen, X.G. Chem Pharm Bull (2006) 54, 297-300
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) | 101.46 |
| 3 (CH) | 155.44 |
| 4 (C) | 108.41 |
| 5 (CH) | 42.68 |
| 6 (CH) | 75.37 |
| 7 (CH) | 129.87 |
| 8 (C) | 151.41 |
| 9 (CH) | 45.79 |
| 10 (CH2) | 62.77 |
| 11 (C) | 170.85 |
| 1' (CH) | 100.38 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.39 |
| 4' (CH) | 71.56 |
| 5' (CH) | 77.73 |
| 6' (CH2) | 61.66 |
