Spektraris NMR
Mulberrofuran X
Common Name: Mulberrofuran X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O5/c1-17(2)7-6-8-18(3)9-11-21-24(31)12-10-19-13-25(34-28(19)21)22-14-20(30)15-26-23(22)16-27(33-26)29(4,5)32/h7,9-10,12-15,27,30-32H,6,8,11,16H2,1-5H3/b18-9+/t27-/m1/s1
InChIKey: InChIKey=HDAQXXCKXVBBEI-XHLFLETQSA-N
Formula: C29H34O5
Molecular Weight: 462.578351
Exact Mass: 462.240624
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) | 154.5 |
| 3 (CH) | 105 |
| 4 (CH) | 119.1 |
| 5 (CH) | 113.2 |
| 6 (C) | 153.7 |
| 7 (C) | 112.1 |
| 8 (C) | 155.1 |
| 9 (C) | 122.5 |
| 1' (C) | 128.5 |
| 2' (C) | 115.5 |
| 3' (C) | 162.9 |
| 4' (CH) | 97.6 |
| 5' (C) | 158.8 |
| 6' (CH) | 104 |
| 7' (CH2) | 31.9 |
| 8' (CH) | 90.9 |
| 9' (C) | 71.6 |
| 10' (CH3) | 26 |
| 11' (CH3) | 25.5 |
| 7a (CH2) | 23.4 |
| 7b (CH) | 123.1 |
| 7c (C) | 135.8 |
| 7d (CH3) | 16.5 |
| 7e (CH2) | 40.4 |
| 7f (CH2) | 27.4 |
| 7g (CH) | 125 |
| 7h (C) | 131.7 |
| 7i (CH3) | 17.6 |
| 7j (CH3) | 25.7 |
