beta-Retinyl sulfone
2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfonyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
Also Known As: beta-Retinyl sulfone|2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfonyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene|Cyclohexene, 1,1'-(sulfonylbis(3,7-dimethyl-1,3,5,7-nonatetraene-9,1-diyl)bis(2,6,6-trimethyl-, (all-E)-
| Molecular Formula | C40H58O2S |
|---|---|
| Molecular Weight | 602.4158 g/mol |
| LogP | 11.4644 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 602.4158 |
| Monoisotopic Mass | 602.4158 |
| Heavy Atoms | 43 |
| Complexity | 1301.9165 |
Chemical Identifiers
| CAS Number | 58970-49-3 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CS(=O)(=O)C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C |
Product Overview
beta-Retinyl sulfone (CAS 58970-49-3), with molecular formula C40H58O2S and molecular weight 602.4158 g/mol. IUPAC: 2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfonyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene.