O5-[3-(3-oxidanyl-1-adamantyl)pentan-3-yl] O1-(4,6,6-trimethyl-2-oxidanylidene-oxepan-4-yl) 4-ethyl-2,2-dimethyl-pentanedioate

Systemtic Name: O5-[3-(3-oxidanyl-1-adamantyl)pentan-3-yl] O1-(4,6,6-trimethyl-2-oxidanylidene-oxepan-4-yl) 4-ethyl-2,2-dimethyl-pentanedioate Openeye Name: O5-[1-ethyl-1-(3-hydroxy-1-adamantyl)propyl] O1-(4,6,6-trimethyl-2-oxo-oxepan-4-yl) 4-ethyl-2,2-dimethyl-pentanedioate CAS Name: 4-ethyl-2,2-dimethylpentanedioic acid O5-[3-(3-hydroxy-1-adamantyl)pentan-3-yl] ester O1-(4,6,6-trimethyl-2-oxo-4-oxepanyl) ester IUPAC Name: 5-O-[3-(3-hydroxy-1-adamantyl)pentan-3-yl] 1-O-(4,6,6-trimethyl-2-oxooxepan-4-yl) 4-ethyl-2,2-dimethylpentanedioate Traditional Name: 4-ethyl-2,2-dimethyl-glutaric acid O5-[1-ethyl-1-(3-hydroxy-1-adamantyl)propyl] ester O1-(2-keto-4,6,6-trimethyl-oxepan-4-yl) ester Formula: C33H54O7 MolecularWeight: 562.77766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)C(=O)OC1(CC(=O)OCC(C1)(C)C)C)C(=O)OC(CC)(CC)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCC(CC(C)(C)C(=O)OC1(CC(=O)OCC(C1)(C)C)C)C(=O)OC(CC)(CC)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C33H54O7/c1-9-24(17-29(6,7)27(36)40-30(8)18-25(34)38-21-28(4,5)19-30)26(35)39-33(10-2,11-3)31-13-22-12-23(14-31)16-32(37,15-22)20-31/h22-24,37H,9-21H2,1-8H3