Spektraris NMR
Aristelegin-A
Common Name: Aristelegin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O7/c1-23-21-15(7-13-3-5-17-19(9-13)27-11-25-17)14(20(22)28-21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9,14-15,21H,6-7,10-11H2,1H3/t14-,15-,21+/m1/s1
InChIKey: InChIKey=HBOUIMWCFJKPNL-PZPWOCDFSA-N
Formula: C21H20O7
Molecular Weight: 384.380103
Exact Mass: 384.120903
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, T.S., Tsai, Y.L., Damu, A.G., Kuo, P.C., Wu, P.L. J Nat Prod (2002) 65, 1522-5
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 130.8 |
| 2 (CH) | 108.9 |
| 3 (C) | 147.7 |
| 4 (C) | 146.3 |
| 5 (CH) | 108 |
| 6 (CH) | 121.8 |
| 7 (CH2) | 37.5 |
| 8 (CH) | 46.4 |
| 9 (CH) | 108.4 |
| 1' (C) | 131.6 |
| 2' (CH) | 109.1 |
| 3' (C) | 147.7 |
| 4' (C) | 146.3 |
| 5' (CH) | 108 |
| 6' (CH) | 122 |
| 7' (CH2) | 36.7 |
| 8' (CH) | 46.8 |
| 9' (C) | 177.7 |
| 3a (CH2) | 100.9 |
| 9a (CH3) | 57 |
| 3'a (CH2) | 101 |
