Spektraris NMR
5-methoxy-4,4'-di-O-methylsecolariciresinol diacetate
Common Name: 5-methoxy-4,4'-di-O-methylsecolariciresinol diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O9/c1-17(28)35-15-21(10-19-8-9-23(30-3)24(12-19)31-4)22(16-36-18(2)29)11-20-13-25(32-5)27(34-7)26(14-20)33-6/h8-9,12-14,21-22H,10-11,15-16H2,1-7H3/t21-,22-/m0/s1
InChIKey: InChIKey=RSFSYSLFHHDDAP-VXKWHMMOSA-N
Formula: C27H36O9
Molecular Weight: 504.570381
Exact Mass: 504.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.C., Hsin, W.C., Huang, Y.L. J Nat Prod (1998) 61, 227-9
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) | 132 |
| 2 (CH) | 112 |
| 3 (C) | 148.8 |
| 4 (C) | 147.3 |
| 5 (CH) | 111.1 |
| 6 (CH) | 120.8 |
| 7 (CH2) | 35.7 |
| 8 (CH) | 39.6 |
| 9 (CH2) | 64.2 |
| 1' (C) | 135.3 |
| 2' (CH) | 105.7 |
| 3' (C) | 153 |
| 4' (C) | 136.2 |
| 5' (C) | 153 |
| 6' (CH) | 105.7 |
| 7' (CH2) | 34.8 |
| 8' (CH) | 39.5 |
| 9' (CH2) | 64.2 |
| 3a (CH3) | 56.9 |
| 4a (CH3) | 56.9 |
| 9a (C) | 170.9 |
| 9b (CH3) | 20.9 |
| 3'a (CH3) | 55.8 |
| 4'a (CH3) | 60.7 |
| 5'a (CH3) | 55.8 |
| 9'a (C) | 170.9 |
| 9'b (CH3) | 20.9 |
