O1-[2-[3-(oxan-2-yloxycarbonyl)-1-adamantyl]propan-2-yl] O5-(3-oxidanyl-1-adamantyl) 2,4-dimethylpentanedioate

Systemtic Name: O1-[2-[3-(oxan-2-yloxycarbonyl)-1-adamantyl]propan-2-yl] O5-(3-oxidanyl-1-adamantyl) 2,4-dimethylpentanedioate Openeye Name: O1-(3-hydroxy-1-adamantyl) O5-[1-methyl-1-(3-tetrahydropyran-2-yloxycarbonyl-1-adamantyl)ethyl] 2,4-dimethylpentanedioate CAS Name: 2,4-dimethylpentanedioic acid O1-(3-hydroxy-1-adamantyl) ester O5-[2-[3-[2-oxanyloxy(oxo)methyl]-1-adamantyl]propan-2-yl] ester IUPAC Name: 1-O-(3-hydroxy-1-adamantyl) 5-O-[2-[3-(oxan-2-yloxycarbonyl)-1-adamantyl]propan-2-yl] 2,4-dimethylpentanedioate Traditional Name: 2,4-dimethylglutaric acid O1-(3-hydroxy-1-adamantyl) ester O5-[1-methyl-1-(3-tetrahydropyran-2-yloxycarbonyl-1-adamantyl)ethyl] ester Formula: C36H54O8 MolecularWeight: 614.80916

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)OC(C)(C)C12CC3CC(C1)CC(C3)(C2)C(=O)OC4CCCCO4)C(=O)OC56CC7CC(C5)CC(C7)(C6)O

Isomeric SMILES

CC(CC(C)C(=O)OC(C)(C)C12CC3CC(C1)CC(C3)(C2)C(=O)OC4CCCCO4)C(=O)OC56CC7CC(C5)CC(C7)(C6)O

InChI

InChI=1S/C36H54O8/c1-22(9-23(2)30(38)44-36-18-26-11-27(19-36)17-35(40,16-26)21-36)29(37)43-32(3,4)34-14-24-10-25(15-34)13-33(12-24,20-34)31(39)42-28-7-5-6-8-41-28/h22-28,40H,5-21H2,1-4H3