Spektraris NMR
Beilschmin A
Common Name: Beilschmin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O7/c1-12-13(2)21(15-9-18(26-5)23-19(10-15)28-11-29-23)30-20(12)14-7-16(24-3)22(27-6)17(8-14)25-4/h7-10,12-13,20-21H,11H2,1-6H3/t12-,13-,20-,21+/m0/s1
InChIKey: InChIKey=RKSBJQZDPAGEQW-BKOMJCAWSA-N
Formula: C23H28O7
Molecular Weight: 416.465101
Exact Mass: 416.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, J.J., Chou, E.T., Duh, C.Y., Yang, S.Z., Chen, I.S. Planta Med (2006) 72, 351-7
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-7-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) | 135.8 |
| 2 (CH) | 106.6 |
| 3 (C) | 143.2 |
| 4 (C) | 134.1 |
| 5 (C) | 148.6 |
| 6 (CH) | 101.1 |
| 7 (CH) | 83.2 |
| 8 (CH) | 46 |
| 9 (CH3) | 14.8 |
| 1' (C) | 136.4 |
| 2' (CH) | 103.4 |
| 3' (C) | 153.2 |
| 4' (C) | 137.4 |
| 5' (C) | 153.2 |
| 6' (CH) | 103.4 |
| 7' (CH) | 87.4 |
| 8' (CH) | 47.8 |
| 9' (CH3) | 15.1 |
| 3a (CH3) | 56.5 |
| 4a (CH2) | 101.3 |
| 3'a (CH3) | 56 |
| 4'a (CH3) | 60.8 |
| 5'a (CH3) | 56 |
