O1-[2-(3-oxidanyl-1-adamantyl)propan-2-yl] O5-(3,5,5-trimethyl-2-oxidanylidene-oxolan-3-yl) 2-ethyl-4-methyl-pentanedioate

Systemtic Name: O1-[2-(3-oxidanyl-1-adamantyl)propan-2-yl] O5-(3,5,5-trimethyl-2-oxidanylidene-oxolan-3-yl) 2-ethyl-4-methyl-pentanedioate Openeye Name: O1-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethyl] O5-(3,5,5-trimethyl-2-oxo-tetrahydrofuran-3-yl) 2-ethyl-4-methyl-pentanedioate CAS Name: 2-ethyl-4-methylpentanedioic acid O1-[2-(3-hydroxy-1-adamantyl)propan-2-yl] ester O5-(3,5,5-trimethyl-2-oxo-3-oxolanyl) ester IUPAC Name: 1-O-[2-(3-hydroxy-1-adamantyl)propan-2-yl] 5-O-(3,5,5-trimethyl-2-oxooxolan-3-yl) 2-ethyl-4-methylpentanedioate Traditional Name: 2-ethyl-4-methyl-glutaric acid O1-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethyl] ester O5-(2-keto-3,5,5-trimethyl-tetrahydrofuran-3-yl) ester Formula: C28H44O7 MolecularWeight: 492.64476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC1(CC(OC1=O)(C)C)C)C(=O)OC(C)(C)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCC(CC(C)C(=O)OC1(CC(OC1=O)(C)C)C)C(=O)OC(C)(C)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C28H44O7/c1-8-20(9-17(2)21(29)34-26(7)15-24(3,4)35-23(26)31)22(30)33-25(5,6)27-11-18-10-19(12-27)14-28(32,13-18)16-27/h17-20,32H,8-16H2,1-7H3