AC1L4K1N
[(1S,2S)-1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-1,2,3,4-tetrahydrochrysen-2-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
Also Known As: [(1S,2S)-1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-1,2,3,4-tetrahydrochrysen-2-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate|Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 1,2,3,4-tetrahydro-1,2-chrysenediyl ester, (1R-(1alpha(1S*,2S*(1R*,2S*,5R*)),2beta,5alpha))-|((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxy)-acetic acid (1S,2S)-2-[2-((1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyloxy)-acetoxy]-1,2,3,4-tetrahydro-chrysen-1-yl ester|(1S,2S)-1,2,3,4-tetrahydrochrysene-1,2-diyl bis({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetate)
| Molecular Formula | C42H56O6 |
|---|---|
| Molecular Weight | 656.4077 g/mol |
| LogP | 11.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 656.4077 |
| Monoisotopic Mass | 656.4077 |
| Heavy Atoms | 48 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 80446-24-8 |
|---|---|
| SMILES | CC1CCC(C(C1)OCC(=O)O[C@H]2CCC3=C([C@@H]2OC(=O)COC4CC(CCC4C(C)C)C)C=CC5=C3C=CC6=CC=CC=C65)C(C)C |
| InChIKey | PLZRBZREFHLELR-BCVIZVHESA-N |
Product Overview
AC1L4K1N (CAS 80446-24-8), with molecular formula C42H56O6 and molecular weight 656.4077 g/mol. IUPAC: [(1S,2S)-1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-1,2,3,4-tetrahydrochrysen-2-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate.