Spektraris NMR
MKN-349A
Common Name: MKN-349A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36N4O4/c1-5-14(4)18-22(30)26-11-7-8-16(26)19(27)23-15(12-13(2)3)21(29)25-10-6-9-17(25)20(28)24-18/h13-18H,5-12H2,1-4H3,(H,23,27)(H,24,28)/t14?,15-,16-,17-,18-/m0/s1
InChIKey: InChIKey=RZIIIIQWCVBQRA-HZQHLLASSA-N
Formula: C22H36N4O4
Molecular Weight: 420.546649
Exact Mass: 420.273656
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shin J., Seo Y., Lee H.S., Rho J.R., Mo S.J. J Nat Prod (2003) 66, 883-4
Species:
Notes: Family : Peptides, Type : Tetrapeptides, Group : Cyclics; 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) | 172.4 |
| 2 (CH) | 60 |
| 3 (CH2) | 29.5 |
| 4 (CH2) | 23.2 |
| 5 (CH2) | 46.2 |
| 6 (C) | 167.6 |
| 7 (CH) | 61.3 |
| 8 (CH2) | 37.1 |
| 9 (CH) | 25.4 |
| 10 (CH3) | 12.6 |
| 11 (CH3) | 15.5 |
| 12 (C) | 171.6 |
| 13 (CH) | 59.3 |
| 14 (CH2) | 29.9 |
| 15 (CH2) | 23.1 |
| 16 (CH2) | 46.7 |
| 17 (C) | 169.1 |
| 18 (CH) | 57.1 |
| 19 (CH) | 43.7 |
| 20 (CH2) | 25.5 |
| 21 (CH3) | 23.3 |
| 22 (CH3) | 21.9 |
