Spektraris NMR
Versiconol
Common Name: Versiconol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2
InChIKey: InChIKey=ZLIRCPWCWHTYNP-UHFFFAOYSA-N
Formula: C18H16O8
Molecular Weight: 360.315538
Exact Mass: 360.084517
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fredenhagen, A., Hug, P., Sauter, H., Peter, H.H. J Antibiot (1995) 48, 199-204
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 (C) | 163 |
| 2 (C) | 123.1 |
| 3 (C) | 163.4 |
| 4 (CH) | 108.6 |
| 4a (C) | 132.2 |
| 5 (CH) | 108.6 |
| 6 (C) | 165 |
| 7 (CH) | 108 |
| 8 (C) | 164.2 |
| 8a (C) | 108.2 |
| 9 (C) | 189 |
| 9a (C) | 108.8 |
| 10 (C) | 181.3 |
| 10a (C) | 135 |
| 1' (CH) | 35.3 |
| 2' (CH2) | 32.7 |
| 3' (CH2) | 60 |
| 6' (CH2) | 62.9 |
