Spektraris NMR
Kipukasin A
Common Name: Kipukasin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24N2O10/c1-10-7-12(29-3)8-13(30-4)16(10)20(27)33-17-14(9-24)32-19(18(17)31-11(2)25)23-6-5-15(26)22-21(23)28/h5-8,14,17-19,24H,9H2,1-4H3,(H,22,26,28)/t14-,17-,18-,19-/m1/s1
InChIKey: InChIKey=MAWCJLLSYLMLHT-UTRMSSBJSA-N
Formula: C21H23N2O10
Molecular Weight: 463.415627
Exact Mass: 463.13527
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiao, P., Mudur, S.V., Gloer, J.B., Wicklow, D.T. J Nat Prod (2007) 70, 1308-11
Species:
Notes: Family : Nucleosides, Type : Uridines; 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) | 150.8 |
| 4 (C) | 163.1 |
| 5 (CH) | 103.6 |
| 6 (CH) | 141.1 |
| 1' (CH) | 87.9 |
| 2' (CH) | 73.4 |
| 3' (CH) | 72.2 |
| 4' (CH) | 84.2 |
| 5' (CH2) | 62.5 |
| 6' (C) | 170.2 |
| 7' (CH3) | 20.9 |
| 1'' (C) | 114.8 |
| 2'' (C) | 162.4 |
| 3'' (CH) | 96.7 |
| 4'' (C) | 159.3 |
| 5'' (CH) | 107.3 |
| 6'' (C) | 139.4 |
| 7'' (C) | 167.5 |
| 2''a (CH3) | 55.8 |
| 4''a (CH3) | 56.3 |
| 6''a (CH3) | 20.6 |
