O1-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) O5-(5,5-dimethyl-2-oxidanylidene-oxolan-3-yl) 2,4-dimethylpentanedioate

Systemtic Name: O1-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) O5-(5,5-dimethyl-2-oxidanylidene-oxolan-3-yl) 2,4-dimethylpentanedioate Openeye Name: O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) O5-(5,5-dimethyl-2-oxo-tetrahydrofuran-3-yl) 2,4-dimethylpentanedioate CAS Name: 2,4-dimethylpentanedioic acid O1-[3-[butoxy(oxo)methyl]-5-hydroxy-1-adamantyl] ester O5-(5,5-dimethyl-2-oxo-3-oxolanyl) ester IUPAC Name: 1-O-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) 5-O-(5,5-dimethyl-2-oxooxolan-3-yl) 2,4-dimethylpentanedioate Traditional Name: 2,4-dimethylglutaric acid O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) ester O5-(2-keto-5,5-dimethyl-tetrahydrofuran-3-yl) ester Formula: C28H42O9 MolecularWeight: 522.62768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C12CC3CC(C1)(CC(C3)(C2)OC(=O)C(C)CC(C)C(=O)OC4CC(OC4=O)(C)C)O

Isomeric SMILES

CCCCOC(=O)C12CC3CC(C1)(CC(C3)(C2)OC(=O)C(C)CC(C)C(=O)OC4CC(OC4=O)(C)C)O

InChI

InChI=1S/C28H42O9/c1-6-7-8-34-24(32)26-10-19-11-27(33,14-26)16-28(12-19,15-26)37-22(30)18(3)9-17(2)21(29)35-20-13-25(4,5)36-23(20)31/h17-20,33H,6-16H2,1-5H3