Spektraris NMR
SCHEMBL17072222
Common Name: SCHEMBL17072222
Synonyms: SCHEMBL17072222
CAS Registry Number:
InChI: InChI=1S/C28H40N4O5/c1-4-20(33)14-9-6-10-15-21-24(34)31-28(2,3)27(37)30-22(18-19-12-7-5-8-13-19)26(36)32-17-11-16-23(32)25(35)29-21/h5,7-8,12-13,21-23H,4,6,9-11,14-18H2,1-3H3,(H,29,35)(H,30,37)(H,31,34)/t21-,22-,23+/m0/s1
InChIKey: InChIKey=HNGIDTWZBOOVGG-RJGXRXQPSA-N
Formula: C28H40N4O5
Molecular Weight: 512.642232
Exact Mass: 512.29987
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tani, H., Fujii, Y., Nakajima, H. Phytochemistry (2001) 58, 305-10
Species:
Notes: Family : Peptides; 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) | 174.4 |
| 2 (CH) | 54.3 |
| 3 (CH2) | 28.8 |
| 4 (CH2) | 25.3 |
| 5 (CH2) | 28.7 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 42.1 |
| 8 (C) | 211.7 |
| 9 (CH2) | 35.9 |
| 10 (CH3) | 7.8 |
| 1' (C) | 175.6 |
| 2' (C) | 58.8 |
| 3' (CH3) | 23.5 |
| 4' (CH3) | 26.4 |
| 1'' (C) | 172.8 |
| 2'' (CH) | 53.4 |
| 3'' (CH2) | 35.8 |
| 4'' (C) | 137 |
| 5'' (CH) | 129 |
| 6'' (CH) | 128.6 |
| 7'' (CH) | 126.7 |
| 8'' (CH) | 128.6 |
| 9'' (CH) | 129 |
| 1''' (C) | 171.8 |
| 2''' (CH) | 57.8 |
| 3''' (CH2) | 24.7 |
| 4''' (CH2) | 25 |
| 5''' (CH2) | 47 |
