AC1O5X63
[(4R,4aS,5R,8R,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
Also Known As: 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-|[(4R,4aS,5R,8R,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.178 g/mol |
| LogP | 3.74812 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.178 |
| Monoisotopic Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 743.2677 |
Chemical Identifiers
| CAS Number | 55058-63-4 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1C2=C(C(=O)[C@@H]3[C@@]1([C@@H](CC[C@H]3O)C)C)OC=C2C |
Product Overview
AC1O5X63 (CAS 55058-63-4), with molecular formula C20H26O5 and molecular weight 346.178 g/mol. IUPAC: [(4R,4aS,5R,8R,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate.
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