Spektraris NMR
Aristelegin-B
Common Name: Aristelegin-B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-24-18-7-5-14(10-20(18)26-3)9-16-12-28-13-17(16)22(23)15-6-8-19(25-2)21(11-15)27-4/h5-8,10-11,16-17,22-23H,9,12-13H2,1-4H3/t16-,17-,22-/m1/s1
InChIKey: InChIKey=BLUMMWXERGVZBN-DRSNIGMVSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
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 : 9-9-Monoepoxylignans; 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) | 133 |
| 2 (CH) | 112 |
| 3 (C) | 152 |
| 4 (C) | 147.4 |
| 5 (CH) | 111.4 |
| 6 (CH) | 120.5 |
| 7 (CH) | 82.8 |
| 8 (CH) | 52.6 |
| 9 (CH2) | 61 |
| 1' (C) | 135.5 |
| 2' (CH) | 109.1 |
| 3' (C) | 149 |
| 4' (C) | 148.5 |
| 5' (CH) | 111.1 |
| 6' (CH) | 118 |
| 7' (CH2) | 33.3 |
| 8' (CH) | 42.4 |
| 9' (CH2) | 73 |
| 3a (CH3) | 55.9 |
| 4a (CH3) | 55.9 |
| 3'a (CH3) | 55.9 |
| 4'a (CH3) | 55.9 |
