Spektraris NMR
Stemofuran I
Common Name: Stemofuran I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O4/c1-10-6-7-15-14(18(10)20)9-17(23-15)13-8-16(21-4)12(3)19(22-5)11(13)2/h6-9,20H,1-5H3
InChIKey: InChIKey=ZMHPYJTVYXZUFL-UHFFFAOYSA-N
Formula: C19H20O4
Molecular Weight: 312.360417
Exact Mass: 312.136159
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Pacher, T., Seger, C., Engelmeier, D., Vajrodaya, S., Hofer, O., Greger, H. J Nat Prod (2002) 65, 820-7
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Benzofuranoids; 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) | 119.4 |
| 2 (C) | 155.1 |
| 3 (C) | 117.4 |
| 4 (CH) | 128.1 |
| 5 (CH) | 103.1 |
| 6 (C) | 148.8 |
| α (CH) | 103.4 |
| β (C) | 154.7 |
| 1' (C) | 129.8 |
| 2' (C) | 121.8 |
| 3' (C) | 159 |
| 4' (C) | 120.7 |
| 5' (C) | 157.5 |
| 6' (CH) | 106.4 |
| 3a (CH3) | 15.7 |
| 2'a (CH3) | 13.8 |
| 3'a (CH3) | 60.4 |
| 4'a (CH3) | 9.5 |
| 5'a (CH3) | 56 |
