Spektraris NMR
SM 196 A
Common Name: SM 196 A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-20(24)8-10-6-7-12-17(15(10)13(21)9-20)19(23)11-4-3-5-14(25-2)16(11)18(12)22/h3-7,13,18,21-22,24H,8-9H2,1-2H3
InChIKey: InChIKey=ICEXCCWZYVIBHD-UHFFFAOYSA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
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 (CH) | 65.73 |
| 2 (CH2) | 44.14 |
| 3 (C) | 69.05 |
| 4 (CH2) | 45.17 |
| 4a (C) | 136.43 |
| 5 (CH) | 135.7 |
| 6 (CH) | 128.81 |
| 6a (C) | 143.35 |
| 7 (CH) | 63.34 |
| 7a (C) | 129.36 |
| 8 (C) | 156.81 |
| 9 (CH) | 114.78 |
| 10 (CH) | 129.54 |
| 11 (CH) | 120.21 |
| 11a (C) | 132.74 |
| 12 (C) | 187.53 |
| 12a (C) | 128.81 |
| 12b (C) | 140.03 |
| 13 (CH3) | 29.11 |
| 8a (CH3) | 56.04 |
