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

Systemtic Name: 2,2,4-trimethyl-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-trimethyl-4-(4-methyl-2-oxo-tetrahydropyran-4-yl)oxycarbonyl-octanoic acid CAS Name: 6-[(3-hydroxy-1-adamantyl)oxy-oxomethyl]-2,2,4-trimethyl-4-[(4-methyl-2-oxo-4-oxanyl)oxy-oxomethyl]octanoic acid IUPAC Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-2,2,4-trimethyl-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-trimethyl-caprylic acid Formula: C29H44O9 MolecularWeight: 536.65426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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(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/C29H44O9/c1-6-20(22(31)37-29-12-18-9-19(13-29)11-28(35,10-18)17-29)14-26(4,16-25(2,3)23(32)33)24(34)38-27(5)7-8-36-21(30)15-27/h18-20,35H,6-17H2,1-5H3,(H,32,33)