| SpectraBase Spectrum ID |
C656dKUX8vV |
| Name |
4-[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl]butan-1-ol |
| Appearance |
Pale yellow viscous oil |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O3 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C21H32O3/c1-16-8-7-10-18(9-5-6-13-22)21(16,2)15-17-14-19(23-3)11-12-20(17)24-4/h10-12,14,16,22H,5-9,13,15H2,1-4H3/t16-,21+/m1/s1 |
| InChIKey |
COPQQTRXWZWPDL-IERDGZPVSA-N |
| Instrument Name |
Agilent HP6890- 5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202105733 |
| Molecular Weight |
332.484 g/mol |
| Optical Rotation |
[a]D20 = -59 (436 nm), -30 (546 nm), -26 (579 nm), -25 (589 nm) (c = 0.67, CHCl3) |
| SMILES |
OCCCCC=1[C@]([C@@](CCC1)(C)[H])(Cc1c(ccc(c1)OC)OC)C |
| SPLASH |
splash10-0znc-4900000000-18f64a05d9a778ed8b5b |
| Source of Spectrum |
ACI-60-SM13-Sl3 |
| Thin-Layer Chromatography |
Rf = 0.22 (c-Hex/EtOAc, 4:1) |
| Wiley ID |
1882578 |
![4-[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl]butan-1-ol](/api/spectrum/C656dKUX8vV/structure.png?h=300&w=458 "4-[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl]butan-1-ol")
