Spektraris NMR
Mulberrofuran Z
Common Name: Mulberrofuran Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O5/c1-18(2)8-7-9-20(5)11-13-23-25-16-28(35-29(25)17-27(33)30(23)34-6)24-14-21(31)15-26(32)22(24)12-10-19(3)4/h8,10-11,14-17,31-33H,7,9,12-13H2,1-6H3/b20-11+
InChIKey: InChIKey=GXPANDQTASJGIX-RGVLZGJSSA-N
Formula: C30H36O5
Molecular Weight: 476.604969
Exact Mass: 476.256274
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) | 155.3 |
| 3 (CH) | 105.3 |
| 4 (C) | 127.4 |
| 5 (C) | 143.6 |
| 6 (C) | 149.8 |
| 7 (CH) | 97.2 |
| 8 (C) | 152.1 |
| 9 (C) | 122.2 |
| 1' (C) | 132.9 |
| 2' (C) | 118.6 |
| 3' (C) | 157.1 |
| 4' (CH) | 103.9 |
| 5' (C) | 157.7 |
| 6' (CH) | 107.7 |
| 7' (CH2) | 26.6 |
| 8' (CH) | 125.7 |
| 9' (C) | 131.3 |
| 10' (CH3) | 26.1 |
| 11' (CH3) | 18.4 |
| 4a (CH2) | 27.1 |
| 4b (CH) | 124.1 |
| 4c (C) | 136.2 |
| 4d (CH3) | 16.6 |
| 4e (CH2) | 40.5 |
| 4f (CH2) | 27.5 |
| 4g (CH) | 125.2 |
| 4h (C) | 132 |
| 4i (CH3) | 17.9 |
| 4j (CH3) | 25.9 |
| 5a (CH3) | 61.8 |
