Spektraris NMR
Pleopsdione
Common Name: Pleopsdione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H18O10/c1-14(23)11(20)12(21)15(24)10(19)8-6(3-5(26-2)4-7(8)17)9(18)16(15,25)13(14)22/h3-4,11-13,17,20-25H,1-2H3/t11-,12-,13+,14-,15+,16-/m1/s1
InChIKey: InChIKey=ZDJUWXOVOUGRAM-VJQRDGCPSA-N
Formula: C16H18O10
Molecular Weight: 370.308757
Exact Mass: 370.089997
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ge, H.M., Song, Y.C., Shan, C.Y., Ye, Y.H., Tan, R.X. Planta Med (2005) 71, 1063-5
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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) | 68.6 |
| 2 (C) | 73.7 |
| 3 (CH) | 78.3 |
| 4 (CH) | 71 |
| 4a (C) | 79.3 |
| 5 (C) | 164.4 |
| 6 (CH) | 105.5 |
| 7 (C) | 166.1 |
| 8 (CH) | 106.5 |
| 8a (C) | 138 |
| 9 (C) | 194.7 |
| 9a (C) | 81.6 |
| 10 (C) | 198.2 |
| 10a (C) | 110.2 |
| 13 (CH3) | 22.4 |
| 7a (CH3) | 56.7 |
