Spektraris NMR
9α-Hydroxy-11,13-dehydroleucodin-9-O-β-xylopyranoside
Common Name: 9α-Hydroxy-11,13-dehydroleucodin-9-O-β-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O8/c1-7-4-11(21)15-9(3)13(27-20-17(24)16(23)12(22)6-26-20)5-10-8(2)19(25)28-18(10)14(7)15/h4,10,12-14,16-18,20,22-24H,2,5-6H2,1,3H3/t10-,12+,13+,14-,16-,17+,18-,20-/m0/s1
InChIKey: InChIKey=ZWNSWJQXKACWNW-RSWWUMKKSA-N
Formula: C20H24O8
Molecular Weight: 392.400535
Exact Mass: 392.147118
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Michalska, K., Zylewski, M., Kisiel, W. Magn Reson Chem (2008) 46, 1185-7
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) | 132.79 |
| 2 (C) | 196.53 |
| 3 (CH) | 135.5 |
| 4 (C) | 171.01 |
| 5 (CH) | 51.42 |
| 6 (CH) | 84.46 |
| 7 (CH) | 44.07 |
| 8 (CH2) | 28.29 |
| 9 (CH) | 80.5 |
| 10 (C) | 149.68 |
| 11 (C) | 140.05 |
| 12 (C) | 169.23 |
| 13 (CH2) | 117.57 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 19.37 |
| 1' (CH) | 104.46 |
| 2' (CH) | 75.03 |
| 3' (CH) | 78.28 |
| 4' (CH) | 71 |
| 5' (CH2) | 67.36 |
