Spektraris NMR
Paeciloquinone E
Common Name: Paeciloquinone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H16O7/c1-20-3-2-8(7-26-20)14-13(27-20)6-11-16(18(14)24)19(25)15-10(17(11)23)4-9(21)5-12(15)22/h4-6,8,21-22,24H,2-3,7H2,1H3/t8-,20-/m0/s1
InChIKey: InChIKey=VDUWMFOCSYSODX-FHZGZLOMSA-N
Formula: C20H16O7
Molecular Weight: 368.337604
Exact Mass: 368.089603
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) | 160 |
| 2 (C) | 125 |
| 3 (C) | 161.9 |
| 4 (CH) | 110.1 |
| 4a (C) | 132.4 |
| 5 (CH) | 108.4 |
| 6 (C) | 165.7 |
| 7 (CH) | 108 |
| 8 (C) | 164.3 |
| 8a (C) | 109.2 |
| 9 (C) | 188.4 |
| 9a (C) | 109.1 |
| 10 (C) | 180.9 |
| 10a (C) | 134.9 |
| 1' (CH) | 27.6 |
| 2' (CH2) | 24.2 |
| 3' (CH2) | 31.6 |
| 4' (C) | 105.1 |
| 5' (CH2) | 68.9 |
| 4'a (CH3) | 28.4 |
