Spektraris NMR
Seco-isolariciresinol
Common Name: Seco-isolariciresinol
Synonyms: Seco-isolariciresinol
CAS Registry Number:
InChI: InChI=1S/C28H34O10/c1-17(29)35-15-23(11-21-7-9-25(37-19(3)31)27(13-21)33-5)24(16-36-18(2)30)12-22-8-10-26(38-20(4)32)28(14-22)34-6/h7-10,13-14,23-24H,11-12,15-16H2,1-6H3/t23-,24-/m0/s1
InChIKey: InChIKey=APTNLHJOYOLQJB-ZEQRLZLVSA-N
Formula: C28H34O10
Molecular Weight: 530.56464
Exact Mass: 530.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barrero, A.F., Haidour, A., Dorado, M.M., Cuerva, J.M. Phytochemistry (1996) 41, 605-9
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) | 137.9 |
| 2 (CH) | 112.7 |
| 3 (C) | 150.8 |
| 4 (C) | 138.4 |
| 5 (CH) | 122.4 |
| 6 (CH) | 120.8 |
| 7 (CH2) | 35.2 |
| 8 (CH) | 39.5 |
| 9 (CH2) | 64.1 |
| 1' (C) | 137.9 |
| 2' (CH) | 112.7 |
| 3' (C) | 150.8 |
| 4' (C) | 138.4 |
| 5' (CH) | 122.4 |
| 6' (CH) | 120.8 |
| 7' (CH2) | 35.2 |
| 8' (CH) | 39.5 |
| 9' (CH2) | 64.1 |
| 3a (CH3) | 55.7 |
| 4a (C) | 170.7 |
| 4b (CH3) | 20.8 |
| 9a (C) | 168.8 |
| 9b (CH3) | 20.6 |
| 3'a (CH3) | 55.7 |
| 4'a (C) | 170.7 |
| 4'b (CH3) | 20.8 |
| 9'a (C) | 170.7 |
| 9'b (CH3) | 20.8 |
