Spektraris NMR
Bilagrewin
Common Name: Bilagrewin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O8/c1-25-14-9-13(10-15(26-2)19(14)24)20-18(11-23)29-21-16(27-3)7-12(5-4-6-22)8-17(21)28-20/h4-10,18,20,23-24H,11H2,1-3H3/b5-4+/t18-,20-/m0/s1
InChIKey: InChIKey=NEVUVMGBMOQVHU-BJUCQYRTSA-N
Formula: C21H22O8
Molecular Weight: 402.39539
Exact Mass: 402.131468
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ma, C., Zhang, H.J., Tan, G.T., Hung, N.V., Cuong, N.M., Soejarto, D.D., Fong, H.H. J Nat Prod (2006) 69, 346-50
Species:
Notes: Family : Lignans, Type : Neolignans, Group : Benzodioxanes; 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) | 127 |
| 2 (CH) | 104.9 |
| 3 (C) | 150.5 |
| 4 (C) | 137.4 |
| 5 (C) | 145.5 |
| 6 (CH) | 111.7 |
| 7 (CH) | 153.3 |
| 8 (CH) | 127.7 |
| 9 (CH) | 193.6 |
| 1' (C) | 127 |
| 2' (CH) | 106.2 |
| 3' (C) | 149.4 |
| 4' (C) | 138.4 |
| 5' (C) | 149.4 |
| 6' (CH) | 106.2 |
| 7' (CH) | 77.3 |
| 8' (CH) | 80.3 |
| 9' (CH2) | 61.2 |
| 5a (CH3) | 56.4 |
| 3'a (CH3) | 56 |
| 5'a (CH3) | 56 |
