Spektraris NMR
Artochamin E
Common Name: Artochamin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O7/c1-10(2)5-6-12-15(26)8-17(28)21-22(30)14-7-13(11(3)4)19-20(25(14)32-24(12)21)16(27)9-18(29)23(19)31/h5,8-9,13,26-29,31H,3,6-7H2,1-2,4H3
InChIKey: InChIKey=YLQHACOUEASQOY-UHFFFAOYSA-N
Formula: C25H24O7
Molecular Weight: 436.45481
Exact Mass: 436.152203
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 |
| 3 (C) | 111.5 |
| 4 (C) | 181.8 |
| 5 (C) | 161.2 |
| 6 (CH) | 99.5 |
| 7 (C) | 162 |
| 8 (C) | 107.6 |
| 9 (C) | 155.7 |
| 10 (C) | 105.4 |
| 1' (C) | 107.4 |
| 2' (C) | 130.1 |
| 3' (C) | 137 |
| 4' (C) | 151.1 |
| 5' (CH) | 103.9 |
| 6' (C) | 151.7 |
| 3a (CH2) | 22.6 |
| 3b (CH) | 38.5 |
| 3c (C) | 145.7 |
| 3d (CH2) | 112.2 |
| 3ca (CH3) | 22.3 |
| 8a (CH2) | 22.7 |
| 8b (CH) | 123.9 |
| 8c (C) | 132.6 |
| 8d (CH3) | 26.2 |
| 8ca (CH3) | 18.3 |
