Spektraris NMR
Annocherine B
Common Name: Annocherine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H17NO4/c1-22-16-9-12-7-8-19-17(14(12)10-15(16)21)18(23-2)11-3-5-13(20)6-4-11/h3-10,18,20-21H,1-2H3/t18-/m0/s1
InChIKey: InChIKey=UGPTYMLHEHFVJS-SFHVURJKSA-N
Formula: C18H17N1O4
Molecular Weight: 311.332602
Exact Mass: 311.115758
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.Y., Chang, F.R., Pan, W.B., Wu, Y.C. Phytochemistry (2001) 56, 753-7
Species:
Notes: Family : Alkaloids, Type : Isoquinolines; 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) | 141.5 |
| 3 (CH) | 133.8 |
| 4 (CH) | 120 |
| 5 (CH) | 107.7 |
| 6 (C) | 156.4 |
| 7 (C) | 156.2 |
| 8 (CH) | 106.4 |
| 9 (C) | 122.3 |
| 10 (C) | 138.4 |
| 1' (C) | 131 |
| 2' (CH) | 128.1 |
| 3' (CH) | 115.2 |
| 4' (C) | 147 |
| 5' (CH) | 115.2 |
| 6' (CH) | 128.1 |
| 7' (CH) | 85.4 |
| 6a (CH3) | 56 |
| 7'a (CH3) | 57.2 |
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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.