Spektraris NMR
Rubiflavinone C-1
Common Name: Rubiflavinone C-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H18O5/c1-4-5-7-12(2)18-11-17(26)19-13(3)10-15-21(24(19)29-18)23(28)20-14(22(15)27)8-6-9-16(20)25/h4-11,25H,1-3H3/b5-4+,12-7+
InChIKey: InChIKey=ZXIQVHNSLVXOKG-RKEQOFPCSA-N
Formula: C24H18O5
Molecular Weight: 386.39762
Exact Mass: 386.115424
NMR Solvent: CD2Cl2
MHz:
Calibration:
NMR references: 13C - Schumacher, R.W., Davidson, B.S., Montenegro, D.A., Bernan, V.S. J Nat Prod (1995) 58, 613-7
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Pluramycins; 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 |
|---|---|
| 2 (C) | 164.4 |
| 3 (CH) | 109.7 |
| 4 (C) | 179.6 |
| 4a (C) | 126.8 |
| 5 (C) | 150.1 |
| 6 (CH) | 125.6 |
| 6a (C) | 136.8 |
| 7 (C) | 182.2 |
| 7a (C) | 132.8 |
| 8 (CH) | 119.5 |
| 9 (CH) | 136.6 |
| 10 (CH) | 125.4 |
| 11 (C) | 163 |
| 11a (C) | 117.3 |
| 12 (C) | 188 |
| 12a (C) | 119.4 |
| 12b (C) | 156.6 |
| 13 (CH3) | 24.2 |
| 14 (C) | 123.5 |
| 15 (CH3) | 12.4 |
| 16 (CH) | 131 |
| 17 (CH) | 125.6 |
| 18 (CH) | 135.4 |
| 19 (CH3) | 14.2 |
