| SpectraBase Spectrum ID |
LWCsvaIefaK |
| Name |
(1R,5S)-2-Methyl-1-((Z)-4-phenylhex-4-en-1-yl)-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.229665585 u |
| Formula |
C22H30O |
| InChI |
InChI=1S/C22H30O/c1-5-19(20-10-7-6-8-11-20)12-9-15-22(23)16-21(17(2)3)14-13-18(22)4/h5-8,10-11,13,21,23H,2,9,12,14-16H2,1,3-4H3/b19-5-/t21-,22+/m0/s1 |
| InChIKey |
JKYPNMHBVWEJLO-KPZUWIICSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202116625 |
| Optical Rotation |
[a]D20 = -13.3 (c = 0.15, CHCl3) |
| Quality |
148 |
| Reported Formula |
C22H30O |
| SMILES |
O[C@]1(CCC\C(C2=CC=CC=C2)=C\C)C[C@](CC=C1C)(C(=C)C)[H] |
| SPLASH |
splash10-0pbc-1900000000-df8575ebe85e06f61e37 |
| Sample Comments |
Z/E = 99:1, dr = 95:5 |
| Source of Spectrum |
ACI-61-SM21-3h (DOI: 10.1002/anie.202116625) |
| Wiley ID |
1897516 |
