Spektraris NMR
(1R,4S,10S)-4-[(7R)-7-Hydroxy-6-oxooctyl]-7,7-dimethyl-10-benzyl-3,6,9,12-tetraazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
![(1R,4S,10S)-4-[(7R)-7-Hydroxy-6-oxooctyl]-7,7-dimethyl-10-benzyl-3,6,9,12-tetraazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone](/nmr/static/nmr/svg/5749.svg)
Common Name: (1R,4S,10S)-4-[(7R)-7-Hydroxy-6-oxooctyl]-7,7-dimethyl-10-benzyl-3,6,9,12-tetraazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Synonyms: (1R,4S,10S)-4-[(7R)-7-Hydroxy-6-oxooctyl]-7,7-dimethyl-10-benzyl-3,6,9,12-tetraazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CAS Registry Number:
InChI: InChI=1S/C28H40N4O6/c1-18(33)23(34)15-9-5-8-13-20-24(35)31-28(2,3)27(38)30-21(17-19-11-6-4-7-12-19)26(37)32-16-10-14-22(32)25(36)29-20/h4,6-7,11-12,18,20-22,33H,5,8-10,13-17H2,1-3H3,(H,29,36)(H,30,38)(H,31,35)/t18-,20+,21+,22-/m1/s1
InChIKey: InChIKey=UXOLDMJAFJDQSE-RYFAJOAYSA-N
Formula: C28H40N4O6
Molecular Weight: 528.641637
Exact Mass: 528.294785
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) | 174.3 |
| 2 (CH) | 54.3 |
| 3 (CH2) | 28.74 |
| 4 (CH2) | 25.2 |
| 5 (CH2) | 28.69 |
| 6 (CH2) | 23.2 |
| 7 (CH2) | 37.2 |
| 8 (C) | 212.4 |
| 9 (CH) | 72.6 |
| 10 (CH3) | 19.8 |
| 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) | 171.9 |
| 2''' (CH) | 57.7 |
| 3''' (CH2) | 24.7 |
| 4''' (CH2) | 25 |
| 5''' (CH2) | 46.9 |
