Spektraris NMR
Annocherine A
Common Name: Annocherine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3/t17-/m0/s1
InChIKey: InChIKey=XWZBLZPLPZOXQV-KRWDZBQOSA-N
Formula: C17H15N1O4
Molecular Weight: 297.305984
Exact Mass: 297.100108
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) | 156.3 |
| 3 (CH) | 133.3 |
| 4 (CH) | 120.2 |
| 5 (CH) | 106.9 |
| 6 (C) | 151.3 |
| 7 (C) | 150.2 |
| 8 (CH) | 105.1 |
| 9 (C) | 122.3 |
| 10 (C) | 137.3 |
| 1' (C) | 130.2 |
| 2' (CH) | 128.5 |
| 3' (CH) | 115.5 |
| 4' (C) | 145.3 |
| 5' (CH) | 115.5 |
| 6' (CH) | 128.5 |
| 7' (CH) | 74.1 |
| 6a (CH3) | 56.4 |
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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.