Spektraris NMR
Austrocortirubin
Common Name: Austrocortirubin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O5/c1-7-3-4-8-9(5-7)15(19)13-12(14(8)18)10(17)6-11(21-2)16(13)20/h3-6,17,20H,1-2H3
InChIKey: InChIKey=IVJVOKCJFGMBTB-UHFFFAOYSA-N
Formula: C16H12O5
Molecular Weight: 284.264088
Exact Mass: 284.068473
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xia, X.K., Huang, H.R., She, Z.G., Shao, C.L., Liu, F., Cai, X.L., Vrijmoed, L.L., Lin, Y.C. Magn Reson Chem (2007) 45, 1006-9
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) | 150.2 |
| 2 (C) | 157.5 |
| 3 (CH) | 106.9 |
| 4 (C) | 160.6 |
| 4a (C) | 106.2 |
| 5 (CH) | 127.1 |
| 6 (CH) | 135.5 |
| 7 (C) | 145.1 |
| 8 (CH) | 127.3 |
| 8a (C) | 131.8 |
| 9 (C) | 187.6 |
| 9a (C) | 112.7 |
| 10 (C) | 184.7 |
| 10a (C) | 133.2 |
| 2a (CH3) | 56.6 |
| 7a (CH3) | 21.9 |
