Spektraris NMR
X-14881 E
Common Name: X-14881 E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H14O4/c1-10-8-11-6-7-13-18(16(11)14(21)9-10)20(23)12-4-3-5-15(24-2)17(12)19(13)22/h3-9,21H,1-2H3
InChIKey: InChIKey=YCYXQISGHUDFRO-UHFFFAOYSA-N
Formula: C20H14O4
Molecular Weight: 318.323508
Exact Mass: 318.089209
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grabley, S., Hammann, P., Hutter, K., Kluge, H., Thiericke, R., Wink, J., Zeeck, A. J Antibiot (1991) 44, 670-3
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Angucyclines; 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) | 155.1 |
| 2 (CH) | 119.71 |
| 3 (C) | 141.14 |
| 4 (CH) | 121.11 |
| 4a (C) | 130.67 |
| 5 (CH) | 137.53 |
| 6 (CH) | 122.76 |
| 6a (C) | 136.74 |
| 7 (C) | 182.12 |
| 7a (C) | 119.15 |
| 8 (C) | 159.57 |
| 9 (CH) | 118.2 |
| 10 (CH) | 135.21 |
| 11 (CH) | 120.97 |
| 11a (C) | 137.52 |
| 12 (C) | 190.71 |
| 12a (C) | 138.37 |
| 12b (C) | 119.94 |
| 13 (CH3) | 21.19 |
| 8a (CH3) | 56.62 |
