Spektraris NMR
Mulberrofuran Y
Common Name: Mulberrofuran Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O5/c1-15(2)6-5-7-16(3)8-9-20-21-13-23(17-10-18(26)12-19(27)11-17)30-24(21)14-22(28)25(20)29-4/h6,8,10-14,26-28H,5,7,9H2,1-4H3/b16-8+
InChIKey: InChIKey=WLJKBVCQTOXSPP-LZYBPNLTSA-N
Formula: C25H28O5
Molecular Weight: 408.487763
Exact Mass: 408.193674
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) | 155.5 |
| 3 (CH) | 103.6 |
| 4 (C) | 127.5 |
| 5 (C) | 143.9 |
| 6 (C) | 149.9 |
| 7 (CH) | 97.3 |
| 8 (C) | 152.4 |
| 9 (C) | 122.2 |
| 1' (C) | 133.6 |
| 2' (CH) | 104 |
| 3' (C) | 160 |
| 4' (CH) | 101.9 |
| 5' (C) | 160 |
| 6' (CH) | 104 |
| 4a (CH2) | 27.1 |
| 4b (CH) | 124.1 |
| 4c (C) | 136.1 |
| 4d (CH3) | 16.6 |
| 4e (CH2) | 40.6 |
| 4f (CH2) | 27.5 |
| 4g (CH) | 125.2 |
| 4h (C) | 132 |
| 4i (CH3) | 17.9 |
| 4j (CH3) | 25.9 |
| 5a (CH3) | 61.8 |
