2,2,4,6-tetramethyl-6-[(3-oxidanyl-1-adamantyl)oxycarbonyl]-4-(5-oxidanylideneoxolan-3-yl)oxycarbonyl-octanoic acid

Systemtic Name: 2,2,4,6-tetramethyl-6-[(3-oxidanyl-1-adamantyl)oxycarbonyl]-4-(5-oxidanylideneoxolan-3-yl)oxycarbonyl-octanoic acid Openeye Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-2,2,4,6-tetramethyl-4-(5-oxotetrahydrofuran-3-yl)oxycarbonyl-octanoic acid CAS Name: 6-[(3-hydroxy-1-adamantyl)oxy-oxomethyl]-2,2,4,6-tetramethyl-4-[oxo-[(5-oxo-3-oxolanyl)oxy]methyl]octanoic acid IUPAC Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-2,2,4,6-tetramethyl-4-(5-oxooxolan-3-yl)oxycarbonyloctanoic acid Traditional Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-4-(5-ketotetrahydrofuran-3-yl)oxycarbonyl-2,2,4,6-tetramethyl-caprylic acid Formula: C28H42O9 MolecularWeight: 522.62768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1CC(=O)OC1)C(=O)OC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1CC(=O)OC1)C(=O)OC23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C28H42O9/c1-6-25(4,23(33)37-28-11-17-7-18(12-28)10-27(34,9-17)16-28)15-26(5,14-24(2,3)21(30)31)22(32)36-19-8-20(29)35-13-19/h17-19,34H,6-16H2,1-5H3,(H,30,31)