AC1O5U1O
[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
Also Known As: MEGxp0_001623|ACon1_000161|NCGC00180822-01|2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aR,9aR,9bR)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-9-methyl-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (2E)-|[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
| Molecular Formula | C20H24O6 |
|---|---|
| Molecular Weight | 360.1573 g/mol |
| LogP | 1.4493 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.1573 |
| Monoisotopic Mass | 360.1573 |
| Heavy Atoms | 26 |
| Complexity | 715.81305 |
Chemical Identifiers
| CAS Number | 82425-21-6 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@@H](CC2=C)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O3 |
Product Overview
AC1O5U1O (CAS 82425-21-6), with molecular formula C20H24O6 and molecular weight 360.1573 g/mol. IUPAC: [(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate.