Spektraris NMR
Cis-1-(2,4,5-Trimethoxy-E-styryl)-2-(2,4,5-trimethoxy-Z-styryl)cyclobutane
Common Name: Cis-1-(2,4,5-Trimethoxy-E-styryl)-2-(2,4,5-trimethoxy-Z-styryl)cyclobutane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O6/c1-27-21-15-25(31-5)23(29-3)13-19(21)11-9-17-7-8-18(17)10-12-20-14-24(30-4)26(32-6)16-22(20)28-2/h9-18,23,25H,7-8H2,1-6H3/b11-9+,12-10-/t17-,18+,23?,25?/m0/s1
InChIKey: InChIKey=HAHUKEYXQWBESA-CMPNCDKCSA-N
Formula: C26H34O6
Molecular Weight: 442.545549
Exact Mass: 442.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kikuzaki, H., Tesaki, S., Yonemori, S., Nakatani, N. Phytochemistry (2001) 56, 109-14
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylbutanoids; 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 (CH) | 41.5 |
| 2 (CH) | 37.2 |
| 3 (CH2) | 24.1 |
| 4 (CH2) | 25.4 |
| 1a (CH) | 131.9 |
| 1b (CH) | 122.5 |
| 1c (C) | 119.5 |
| 1d (C) | 150.7 |
| 1e (CH) | 98.1 |
| 1f (CH) | 148.6 |
| 1g (CH) | 143.2 |
| 1h (CH) | 109.7 |
| 1ad (CH3) | 56.07 |
| 1af (CH3) | 56.12 |
| 1ag (CH3) | 56.4 |
| 2a (CH) | 129.6 |
| 2b (CH) | 128.1 |
| 2c (C) | 122.4 |
| 2d (C) | 151.7 |
| 2e (CH) | 97 |
| 2f (C) | 147.8 |
| 2g (C) | 142.3 |
| 2h (CH) | 114.9 |
| 2ad (CH3) | 56.5 |
| 2af (CH3) | 56.7 |
| 2ag (CH3) | 56.8 |
