Spektraris NMR
Panglimycin E
Common Name: Panglimycin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O6/c1-7-5-9-12(11(21)6-7)14-15(22)8-3-2-4-10(20)13(8)17(23)19(14,24)18-16(9)25-18/h2-4,7,14,16-18,20,23-24H,5-6H2,1H3/t7-,14+,16?,17-,18?,19-/m0/s1
InChIKey: InChIKey=KALVKBCVJGXOKE-LGFMTJRBSA-N
Formula: C19H18O6
Molecular Weight: 342.343345
Exact Mass: 342.110338
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fotso, S., Mahmud, T., Zabriskie, T.M., Santosa, D.A., Sulastri, Proteau, P.J. J Nat Prod (2008) 71, 61-5
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) | 200.1 |
| 2 (CH2) | 46.3 |
| 3 (CH) | 31.7 |
| 4 (CH2) | 39 |
| 4a (C) | 153.4 |
| 5 (CH) | 51.7 |
| 6 (CH) | 57.2 |
| 6a (C) | 75.9 |
| 7 (CH) | 75.8 |
| 7a (C) | 125 |
| 8 (C) | 158.8 |
| 9 (CH) | 123.1 |
| 10 (CH) | 130.2 |
| 11 (CH) | 119.6 |
| 11a (C) | 133.3 |
| 12 (C) | 195.7 |
| 12a (CH) | 50.7 |
| 12b (C) | 131.7 |
| 13 (CH3) | 21.6 |
