Spektraris NMR
Ancistrogriffine A
Common Name: Ancistrogriffine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H29NO4/c1-13-9-18-17(7-8-21(29-5)23(18)19(27)10-13)24-20(28)12-16-11-14(2)26(4)15(3)22(16)25(24)30-6/h7-10,12,14-15,27-28H,11H2,1-6H3/t14-,15-/m0/s1
InChIKey: InChIKey=UGEJDUMBFTVARC-GJZGRUSLSA-N
Formula: C25H29N1O4
Molecular Weight: 407.503042
Exact Mass: 407.209658
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bringmann G., Wohlfarth M., Rischer H., Schlauer J., Brun R. Phytochemistry (2002) 61, 195-204
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 (CH) | 58.3 |
| 3 (CH) | 48 |
| 4 (CH2) | 30 |
| 4a (C) | 130.8 |
| 5 (CH) | 109.7 |
| 6 (C) | 154.6 |
| 7 (C) | 118.5 |
| 8 (C) | 156.5 |
| 8a (C) | 121.9 |
| 1' (CH) | 115.6 |
| 2' (C) | 139.3 |
| 3' (CH) | 113.3 |
| 4' (C) | 154.7 |
| 5' (C) | 157 |
| 6' (CH) | 102.9 |
| 7' (CH) | 129.2 |
| 8' (C) | 116.6 |
| 9' (C) | 135.1 |
| 10' (C) | 113.6 |
| 1'' (CH3) | 60.5 |
| 1a (CH3) | 19.6 |
| 2a (CH3) | 33.1 |
| 3a (CH3) | 16.7 |
| 2'a (CH3) | 21.9 |
| 5'a (CH3) | 56.1 |
