Spektraris NMR
Kipukasin B
Common Name: Kipukasin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22N2O10/c1-9-6-11(25)7-12(29-3)15(9)19(27)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(26)21-20(22)28/h4-7,13,16-18,23,25H,8H2,1-3H3,(H,21,26,28)/t13-,16-,17-,18-/m1/s1
InChIKey: InChIKey=ULPUBSPPYRXUOZ-BNEJOLLZSA-N
Formula: C20H21N2O10
Molecular Weight: 449.389009
Exact Mass: 449.11962
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) | 150.6 |
| 4 (C) | 162.9 |
| 5 (CH) | 103.3 |
| 6 (CH) | 140.7 |
| 1' (CH) | 87 |
| 2' (CH) | 73.4 |
| 3' (CH) | 72.3 |
| 4' (CH) | 84.3 |
| 5' (CH2) | 62.2 |
| 6' (C) | 169.8 |
| 7' (CH3) | 20.7 |
| 1'' (C) | 113.9 |
| 2'' (C) | 159.4 |
| 3'' (CH) | 97.2 |
| 4'' (C) | 159.6 |
| 5'' (CH) | 109.6 |
| 6'' (C) | 139.2 |
| 7'' (C) | 167.3 |
| 2''a (CH3) | 55.9 |
| 6''a (CH3) | 20.1 |
