Spektraris NMR
Deacetylmatricarin 8-O-b-glucopyranoside
Common Name: Deacetylmatricarin 8-O-b-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O9/c1-7-4-11(23)15-9(3)12(5-10-8(2)20(27)30-19(10)14(7)15)28-21-18(26)17(25)16(24)13(6-22)29-21/h4,8,10,12-14,16-19,21-22,24-26H,5-6H2,1-3H3/t8-,10-,12+,13+,14-,16+,17-,18+,19-,21+/m0/s1
InChIKey: InChIKey=ZUNQUEPUGDYLCG-NHDJOBCSSA-N
Formula: C21H28O9
Molecular Weight: 424.442439
Exact Mass: 424.173332
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Michalska, K., Kisiel, W. Planta Med (2003) 69, 181-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 133.54 |
| 2 (C) | 195.37 |
| 3 (CH) | 135.15 |
| 4 (C) | 170.19 |
| 5 (CH) | 51.41 |
| 6 (CH) | 81.92 |
| 7 (CH) | 60.82 |
| 8 (CH2) | 79.09 |
| 9 (CH) | 46.99 |
| 10 (C) | 146.79 |
| 11 (CH) | 41.35 |
| 12 (C) | 178.15 |
| 13 (CH3) | 16.14 |
| 14 (CH3) | 21.31 |
| 15 (CH3) | 19.65 |
| 1' (CH) | 105.88 |
| 2' (CH) | 75.36 |
| 3' (CH) | 78.76 |
| 4' (CH) | 71.58 |
| 5' (CH) | 78.31 |
| 6' (CH2) | 62.76 |
