Spektraris NMR
P-indomycinone
Common Name: P-indomycinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H20O6/c1-4-5-9-24(3,29)17-11-16(26)18-12(2)10-14-20(23(18)30-17)22(28)19-13(21(14)27)7-6-8-15(19)25/h4-8,10-11,25,29H,9H2,1-3H3/b5-4+
InChIKey: InChIKey=IVVXCIFNKDZFST-SNAWJCMRSA-N
Formula: C24H20O6
Molecular Weight: 404.412906
Exact Mass: 404.125988
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) | 171.8 |
| 3 (CH) | 109.6 |
| 4 (C) | 179.2 |
| 4a (C) | 126.3 |
| 5 (C) | 150 |
| 6 (CH) | 125.7 |
| 6a (C) | 136 |
| 7 (C) | 181.8 |
| 7a (C) | 132.3 |
| 8 (CH) | 119.5 |
| 9 (CH) | 136.5 |
| 10 (CH) | 125.4 |
| 11 (C) | 162.7 |
| 11a (C) | 116.8 |
| 12 (C) | 187.4 |
| 12a (C) | 119.6 |
| 12b (C) | 156.1 |
| 13 (CH3) | 24.2 |
| 14 (C) | 73.7 |
| 15 (CH3) | 26.1 |
| 16 (CH2) | 38.2 |
| 17 (CH) | 123.1 |
| 18 (CH) | 129.6 |
| 19 (CH3) | 13 |
