Spektraris NMR
Mirablin B
Common Name: Mirablin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H23N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9-11H,3-8H2,1-2H3,(H2,16,17,18)/t9-,10+,11+/m1/s1
InChIKey: InChIKey=IECGAEWATGHTLG-VWYCJHECSA-N
Formula: C15H23N3
Molecular Weight: 245.363905
Exact Mass: 245.189198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yu, M., Pochapsky, S.S., Snider, B.B. J Org Chem (2008) 73, 9065-74
Species:
Notes: Family : Nitrogenous-bases, Type : Miscellanea; 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) | 163.1 |
| 4 (CH2) | 34.1 |
| 5 (CH2) | 33 |
| 6 (CH2) | 39.8 |
| 7 (CH) | 33.6 |
| 8 (CH) | 47 |
| 1' (CH2) | 30.4 |
| 2' (CH2) | 27.7 |
| 3' (CH2) | 23.2 |
| 4' (CH3) | 14 |
| 3a (C) | 174.5 |
| 5a (CH) | 37.7 |
| 7a (CH3) | 21 |
| 8a (C) | 166 |
| 8b (C) | 125.9 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.