Spektraris NMR
Linnanthin
Common Name: Linnanthin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O7/c1-26-15-19(10-17-8-9-21(28-3)22(12-17)29-4)20(16-27-2)11-18-13-23(30-5)25(32-7)24(14-18)31-6/h8-9,12-14,19-20H,10-11,15-16H2,1-7H3/t19-,20-/m1/s1
InChIKey: InChIKey=KEVXWQLHGVBCQZ-WOJBJXKFSA-N
Formula: C25H36O7
Molecular Weight: 448.550099
Exact Mass: 448.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Satyanarayana, P., Venkateswarlu, S. Tetrahedron (1991) 47, 8931-40
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutanes; 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) | 106.8 |
| 3 (C) | 153 |
| 4 (C) | 148.6 |
| 5 (C) | 153.1 |
| 6 (CH) | 106.8 |
| 7 (CH2) | 35.3 |
| 8 (CH) | 41.6 |
| 9 (CH2) | 71.1 |
| 1' (C) | 130 |
| 2' (CH) | 111.2 |
| 3' (C) | 149 |
| 4' (C) | 148.1 |
| 5' (CH) | 111.6 |
| 6' (CH) | 120.5 |
| 7' (CH2) | 35.1 |
| 8' (CH) | 41.8 |
| 9' (CH2) | 71.7 |
| 3a (CH3) | 55.8 |
| 4a (CH3) | 60.2 |
| 5a (CH3) | 56 |
| 9a (CH3) | 57.8 |
| 3'a (CH3) | 60.2 |
| 4'a (CH3) | 55.8 |
| 9'a (CH3) | 57.8 |
