Spektraris NMR
2,3-desmethoxy seco-isolintetralin diacetate
Common Name: 2,3-desmethoxy seco-isolintetralin diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O8/c1-16(26)30-13-20(9-18-5-7-22(28-3)24(11-18)29-4)21(14-31-17(2)27)10-19-6-8-23-25(12-19)33-15-32-23/h5-8,11-12,20-21H,9-10,13-15H2,1-4H3/t20-,21-/m0/s1
InChIKey: InChIKey=OJKXLUIFUZRGOO-SFTDATJTSA-N
Formula: C25H30O8
Molecular Weight: 458.501859
Exact Mass: 458.194068
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 |
| 2 (CH) | 108 |
| 3 (C) | 148 |
| 4 (C) | 146 |
| 5 (CH) | 111 |
| 6 (CH) | 121 |
| 7 (CH2) | 34.5 |
| 8 (CH) | 39.5 |
| 9 (CH2) | 64.5 |
| 1' (C) | 133 |
| 2' (CH) | 109 |
| 3' (C) | 149 |
| 4' (C) | 147.5 |
| 5' (CH) | 112.5 |
| 6' (CH) | 122 |
| 7' (CH2) | 34.5 |
| 8' (CH) | 39.5 |
| 9' (CH2) | 64.5 |
| 3a (CH2) | 101 |
| 9a (C) | 171.5 |
| 9b (CH3) | 20.5 |
| 3'a (CH3) | 55 |
| 4'a (CH3) | 55 |
| 9'a (C) | 171.5 |
| 9'b (CH3) | 20.5 |
