2,2,4,6-tetramethyl-4-(4-methyl-2-oxidanylidene-oxan-4-yl)oxycarbonyl-6-[(3-oxidanyl-1-adamantyl)oxycarbonyl]octanoic acid

Systemtic Name: 2,2,4,6-tetramethyl-4-(4-methyl-2-oxidanylidene-oxan-4-yl)oxycarbonyl-6-[(3-oxidanyl-1-adamantyl)oxycarbonyl]octanoic acid Openeye Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-2,2,4,6-tetramethyl-4-(4-methyl-2-oxo-tetrahydropyran-4-yl)oxycarbonyl-octanoic acid CAS Name: 6-[(3-hydroxy-1-adamantyl)oxy-oxomethyl]-2,2,4,6-tetramethyl-4-[(4-methyl-2-oxo-4-oxanyl)oxy-oxomethyl]octanoic acid IUPAC Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-2,2,4,6-tetramethyl-4-(4-methyl-2-oxooxan-4-yl)oxycarbonyloctanoic acid Traditional Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-4-(2-keto-4-methyl-tetrahydropyran-4-yl)oxycarbonyl-2,2,4,6-tetramethyl-caprylic acid Formula: C30H46O9 MolecularWeight: 550.68084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1(CCOC(=O)C1)C)C(=O)OC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1(CCOC(=O)C1)C)C(=O)OC23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C30H46O9/c1-7-26(4,23(34)39-30-13-19-10-20(14-30)12-29(36,11-19)18-30)17-27(5,16-25(2,3)22(32)33)24(35)38-28(6)8-9-37-21(31)15-28/h19-20,36H,7-18H2,1-6H3,(H,32,33)