Spektraris NMR
Mulberrofuran W
Common Name: Mulberrofuran W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O4/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-14-25-26(16-24(31)17-27(25)32)29-15-22-12-13-23(30)18-28(22)33-29/h7,9,11-13,15-18,30-32H,5-6,8,10,14H2,1-4H3/b20-9+,21-11+
InChIKey: InChIKey=YUFBSQFJPYHMTK-SICDNOCMSA-N
Formula: C29H34O4
Molecular Weight: 446.578946
Exact Mass: 446.24571
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Shi, Y.Q., Fukai, T., Sakagami, H., Chang, W.J., Yang, P.Q., Wang, F.P., Nomura, T. J Nat Prod (2001) 64, 181-8
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 |
|---|---|
| 2 (C) | 155.6 |
| 3 (CH) | 105.5 |
| 4 (CH) | 121.9 |
| 5 (CH) | 113 |
| 6 (C) | 156.6 |
| 7 (CH) | 98.4 |
| 8 (C) | 156.9 |
| 9 (C) | 122.6 |
| 1' (C) | 132.8 |
| 2' (C) | 118.6 |
| 3' (C) | 157.5 |
| 4' (CH) | 103.9 |
| 5' (C) | 156.5 |
| 6' (CH) | 107.8 |
| 7' (CH2) | 26.2 |
| 8' (CH) | 125.1 |
| 9' (C) | 135.4 |
| 10' (CH3) | 16.4 |
| 11' (CH2) | 40.4 |
| 12' (CH2) | 27.3 |
| 13' (CH) | 125.2 |
| 14' (C) | 134.8 |
| 15' (CH3) | 16.1 |
| 16' (CH2) | 40.5 |
| 17' (CH2) | 27.4 |
| 18' (CH) | 125.4 |
| 19' (C) | 131.5 |
| 20' (CH3) | 17.8 |
| 21' (CH3) | 25.8 |
