Spektraris NMR
Aglamide B
Common Name: Aglamide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20N2O3S/c1-23(22)13-11-16(20)18-15-8-5-12-19(15)17(21)10-9-14-6-3-2-4-7-14/h2-4,6-7,9-11,13,15H,5,8,12H2,1H3,(H,18,20)/b10-9+,13-11+
InChIKey: InChIKey=YIMIJWXCYXPRAS-SNMPHBPQSA-N
Formula: C17H20N2O3S1
Molecular Weight: 332.419111
Exact Mass: 332.119463
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kim, S., Chin, Y.W., Su, B.N., Riswan, S., Kardono, L.B., Afriastini, J.J., Chai, H., Farnsworth, N.R., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2006) 69, 1769-75
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 136.2 |
| 2 (CH) | 128.6 |
| 3 (CH) | 129.4 |
| 4 (CH) | 130 |
| 5 (CH) | 129.4 |
| 6 (CH) | 128.6 |
| 7 (CH) | 142.1 |
| 8 (CH) | 120.5 |
| 9 (C) | 165.5 |
| 1' (CH) | 63.7 |
| 2' (CH2) | 39.8 |
| 3' (CH2) | 22.2 |
| 4' (CH2) | 46.5 |
| 1'' (C) | 162.6 |
| 2'' (CH) | 128.3 |
| 3'' (CH) | 149.5 |
| 3''a (CH3) | 34.7 |
