Spektraris NMR
5-Demethoxyepiexcelsin
Common Name: 5-Demethoxyepiexcelsin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O7/c1-22-17-5-12(6-18-21(17)28-10-27-18)20-14-8-23-19(13(14)7-24-20)11-2-3-15-16(4-11)26-9-25-15/h2-6,13-14,19-20H,7-10H2,1H3/t13-,14-,19-,20+/m0/s1
InChIKey: InChIKey=FHVJDYZMZCJFRZ-WZBLMQSHSA-N
Formula: C21H20O7
Molecular Weight: 384.380103
Exact Mass: 384.120903
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hoang, V.D., Tan, G.T., Zhang, H.J., Tamez, P.A., Hung, N.V., Cuong, N.M., Soejarto, D.D., Fong, H.H., Pezzuto, J.M. Phytochemistry (2002) 59, 325-9
Species:
Notes: Family : Lignans, Type : Lignans, Group : Bisepoxylignans; 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) | 132.9 |
| 2 (CH) | 99.8 |
| 3 (C) | 148.8 |
| 4 (C) | 134.1 |
| 5 (C) | 143.5 |
| 6 (CH) | 104.8 |
| 7 (CH) | 82 |
| 8 (CH) | 50.1 |
| 9 (CH2) | 70.9 |
| 1' (C) | 135 |
| 2' (CH) | 106.5 |
| 3' (C) | 147.2 |
| 4' (C) | 147.9 |
| 5' (CH) | 108.1 |
| 6' (CH) | 119.5 |
| 7' (CH) | 87.6 |
| 8' (CH) | 54.5 |
| 9' (CH2) | 69.6 |
| 3a (CH2) | 101.4 |
| 5a (CH3) | 56.6 |
| 3'a (CH2) | 101 |
