Spektraris NMR
Ancistrogriffithine A
Common Name: Ancistrogriffithine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H52N2O7/c1-21-11-30-32(41-25(5)40-26(6)49-23(3)15-28(40)17-36(41)51)19-34(46(53)44(30)38(13-21)55-8)35-20-33(31-12-22(2)14-39(56-9)45(31)47(35)54)43-37(52)18-29-16-24(4)50-27(7)42(29)48(43)57-10/h11-14,17-20,23-24,26-27,49-54H,15-16H2,1-10H3/t23-,24-,26+,27+/m0/s1
InChIKey: InChIKey=YDPHVXMFUUOMBN-ADUOGZPQSA-N
Formula: C48H52N2O7
Molecular Weight: 768.937563
Exact Mass: 768.377452
NMR Solvent: CD3OD
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 |
|---|---|
| 2 (CH) | 51.1 |
| 3 (CH2) | 35.2 |
| 4 (C) | 134.7 |
| 5 (CH) | 111.8 |
| 6 (C) | 157.3 |
| 7 (C) | 121.8 |
| 8 (C) | 158.6 |
| 9 (C) | 118.4 |
| 10 (CH) | 52.4 |
| 1' (CH) | 120 |
| 2' (C) | 137.1 |
| 3' (CH) | 107.8 |
| 4' (C) | 157.9 |
| 5' (C) | 152.6 |
| 6' (C) | 109.3 |
| 7' (CH) | 135.1 |
| 8' (C) | 121.9 |
| 9' (C) | 136.4 |
| 10' (C) | 115.1 |
| 1'' (CH) | 120 |
| 2'' (C) | 137.1 |
| 3'' (CH) | 107.8 |
| 4'' (C) | 157.9 |
| 5'' (C) | 152.6 |
| 6'' (C) | 109.3 |
| 7'' (CH) | 135.1 |
| 8'' (C) | 121.9 |
| 9'' (C) | 136.4 |
| 10'' (C) | 115.1 |
| 2''' (CH) | 51.1 |
| 3''' (CH2) | 35.2 |
| 4''' (C) | 134.7 |
| 5''' (CH) | 111.8 |
| 6''' (C) | 157.3 |
| 7''' (C) | 121.8 |
| 8''' (C) | 158.6 |
| 9''' (C) | 118.4 |
