Spektraris NMR
Artocarpin
Common Name: Artocarpin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+
InChIKey: InChIKey=KRGDFVQWQJIMEK-RMKNXTFCSA-N
Formula: C26H28O6
Molecular Weight: 436.497904
Exact Mass: 436.188589
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wang, Y.H., Hou, A.J., Chen, L., Chen, D.F., Sun, H.D., Zhao, Q.S., Bastow, K.F., Nakanish, Y., Wang, X.H., Lee, K.H. J Nat Prod (2004) 67, 757-61
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 162.8 |
| 3 (C) | 122.3 |
| 4 (C) | 183.7 |
| 5 (C) | 160.2 |
| 6 (C) | 110.1 |
| 7 (C) | 164.2 |
| 8 (CH) | 90.9 |
| 9 (C) | 157.8 |
| 10 (C) | 105.9 |
| 1' (C) | 113.2 |
| 2' (C) | 157.5 |
| 3' (CH) | 104.1 |
| 4' (C) | 161.8 |
| 5' (CH) | 108.4 |
| 6' (CH) | 132.7 |
| 1'' (CH2) | 25 |
| 2'' (CH) | 122.9 |
| 3'' (C) | 132.6 |
| 4'' (CH3) | 26.2 |
| 5'' (CH3) | 18 |
| 1''' (CH) | 117.4 |
| 2''' (CH) | 142.5 |
| 3''' (CH) | 34.3 |
| 4''' (CH3) | 23.5 |
| 5''' (CH3) | 23.5 |
| 7a (CH3) | 57 |
