O1-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) O6-(5,5-dimethyl-2-oxidanylidene-oxolan-3-yl) 2,5-dimethylhexanedioate

Systemtic Name: O1-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) O6-(5,5-dimethyl-2-oxidanylidene-oxolan-3-yl) 2,5-dimethylhexanedioate Openeye Name: O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) O6-(5,5-dimethyl-2-oxo-tetrahydrofuran-3-yl) 2,5-dimethylhexanedioate CAS Name: 2,5-dimethylhexanedioic acid O1-[3-[butoxy(oxo)methyl]-5-hydroxy-1-adamantyl] ester O6-(5,5-dimethyl-2-oxo-3-oxolanyl) ester IUPAC Name: 1-O-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) 6-O-(5,5-dimethyl-2-oxooxolan-3-yl) 2,5-dimethylhexanedioate Traditional Name: 2,5-dimethyladipic acid O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) ester O6-(2-keto-5,5-dimethyl-tetrahydrofuran-3-yl) ester Formula: C29H44O9 MolecularWeight: 536.65426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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