O1-[3-(oxan-2-yloxycarbonyl)-5-oxidanyl-1-adamantyl] O5-(3-oxidanyl-1-adamantyl) 2-ethyl-4-methyl-pentanedioate

Systemtic Name: O1-[3-(oxan-2-yloxycarbonyl)-5-oxidanyl-1-adamantyl] O5-(3-oxidanyl-1-adamantyl) 2-ethyl-4-methyl-pentanedioate Openeye Name: O1-(3-hydroxy-1-adamantyl) O5-(3-hydroxy-5-tetrahydropyran-2-yloxycarbonyl-1-adamantyl) 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-(3-hydroxy-1-adamantyl) ester O5-[3-hydroxy-5-[2-oxanyloxy(oxo)methyl]-1-adamantyl] ester IUPAC Name: 1-O-(3-hydroxy-1-adamantyl) 5-O-[3-hydroxy-5-(oxan-2-yloxycarbonyl)-1-adamantyl] 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-(3-hydroxy-1-adamantyl) ester O5-(3-hydroxy-5-tetrahydropyran-2-yloxycarbonyl-1-adamantyl) ester Formula: C34H50O9 MolecularWeight: 602.7554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O)C(=O)OC45CC6CC(C4)(CC(C6)(C5)O)C(=O)OC7CCCCO7

Isomeric SMILES

CCC(CC(C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O)C(=O)OC45CC6CC(C4)(CC(C6)(C5)O)C(=O)OC7CCCCO7

InChI

InChI=1S/C34H50O9/c1-3-25(8-21(2)27(35)42-33-14-22-9-23(15-33)12-31(38,11-22)19-33)28(36)43-34-16-24-10-30(18-34,17-32(39,13-24)20-34)29(37)41-26-6-4-5-7-40-26/h21-26,38-39H,3-20H2,1-2H3