Spektraris NMR
Parimycin
Common Name: Parimycin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O7/c1-4-22(3,28)14-8-13(25)15-9(2)7-10-16(21(15)29-14)20(27)18-12(24)6-5-11(23)17(18)19(10)26/h7-8,26-28H,4-6H2,1-3H3
InChIKey: InChIKey=CAICRNNJVRUMNG-UHFFFAOYSA-N
Formula: C22H20O7
Molecular Weight: 396.390839
Exact Mass: 396.120903
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maskey, R.P., Helmke, E., Fiebig, H.H., Laatsch, H. J Antibiot (2002) 55, 1031-5
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) | 172.7 |
| 3 (CH) | 109.5 |
| 4 (C) | 180.3 |
| 4a (C) | 122.5 |
| 5 (C) | 142.6 |
| 6 (CH) | 122.1 |
| 6a (C) | 132.4 |
| 7 (C) | 152 |
| 7a (C) | 110 |
| 8 (C) | 201 |
| 9 (CH2) | 35.8 |
| 10 (CH2) | 36 |
| 11 (C) | 201.6 |
| 11a (C) | 108.5 |
| 12 (C) | 156.7 |
| 12a (C) | 117.4 |
| 12b (C) | 156.5 |
| 13 (CH3) | 23.7 |
| 14 (C) | 73.6 |
| 15 (CH3) | 25.7 |
| 16 (CH2) | 33 |
| 17 (CH3) | 7.7 |
