Spektraris NMR
Tricornoside E
Common Name: Tricornoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O11/c1-28-10-5-7-13(23)12-8(22)3-2-4-9(12)29-18(7)19(15(10)25)31-20-17(27)16(26)14(24)11(6-21)30-20/h2-5,11,14,16-17,20-22,24-27H,6H2,1H3/t11-,14-,16+,17-,20+/m1/s1
InChIKey: InChIKey=NNTHHDSNAVXJNF-ZWUIOIEASA-N
Formula: C20H20O11
Molecular Weight: 436.366987
Exact Mass: 436.100561
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Li, J., Jiang, Y., Tu, P.F. J Nat Prod (2005) 68, 1802-4
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 160.7 |
| 2 (CH) | 109.8 |
| 3 (CH) | 136.4 |
| 4 (CH) | 107.4 |
| 4a (C) | 155.6 |
| 5 (C) | 132.5 |
| 6 (C) | 145.9 |
| 7 (C) | 146.4 |
| 8 (CH) | 100.2 |
| 8a (C) | 111.2 |
| 9 (C) | 180.3 |
| 9a (C) | 107.7 |
| 10a (C) | 148.2 |
| 1' (CH) | 105.5 |
| 2' (CH) | 73.9 |
| 3' (CH) | 76 |
| 4' (CH) | 69.6 |
| 5' (CH) | 77.4 |
| 6' (CH2) | 60.8 |
| 7a (CH3) | 56 |
