Spektraris NMR
YM-181741
Common Name: YM-181741
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H14O5/c20-8-9-6-10-4-5-12-17(15(10)14(22)7-9)19(24)11-2-1-3-13(21)16(11)18(12)23/h1-5,9,20-21H,6-8H2/t9-/m0/s1
InChIKey: InChIKey=UXSDRWXYYLSCOY-VIFPVBQESA-N
Formula: C19H14O5
Molecular Weight: 322.312177
Exact Mass: 322.084124
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Taniguchi, M., Nagai, K., Watanabe, M., Nimura, N., Suzuki, K., Tanaka, A. J Antibiot (2002) 55, 30-5
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) | 198.6 |
| 2 (CH2) | 42 |
| 3 (CH) | 37.7 |
| 4 (CH2) | 32.8 |
| 4a (C) | 149.7 |
| 5 (CH) | 133.2 |
| 6 (CH) | 129.1 |
| 6a (C) | 133.6 |
| 7 (C) | 187.5 |
| 7a (C) | 115.5 |
| 8 (C) | 162.2 |
| 9 (CH) | 123.7 |
| 10 (CH) | 137.1 |
| 11 (CH) | 119.6 |
| 11a (C) | 135.1 |
| 12 (C) | 182.9 |
| 12a (C) | 135.7 |
| 12b (C) | 136.9 |
| 13 (CH2) | 65.9 |
