O1-tert-butyl O5-(2-methyl-2-adamantyl) O3-(2-oxidanylideneoxolan-3-yl) 1,3,5-trimethylheptane-1,3,5-tricarboxylate

Systemtic Name: O1-tert-butyl O5-(2-methyl-2-adamantyl) O3-(2-oxidanylideneoxolan-3-yl) 1,3,5-trimethylheptane-1,3,5-tricarboxylate Openeye Name: O1-tert-butyl O5-(2-methyl-2-adamantyl) O3-(2-oxotetrahydrofuran-3-yl) 1,3,5-trimethylheptane-1,3,5-tricarboxylate CAS Name: 1,3,5-trimethylheptane-1,3,5-tricarboxylic acid O1-tert-butyl ester O5-(2-methyl-2-adamantyl) ester O3-(2-oxo-3-oxolanyl) ester IUPAC Name: 1-O-tert-butyl 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 1,3,5-trimethylheptane-1,3,5-tricarboxylate Traditional Name: 1,3,5-trimethylheptane-1,3,5-tricarboxylic acid O1-tert-butyl ester O3-(2-ketotetrahydrofuran-3-yl) ester O5-(2-methyl-2-adamantyl) ester Formula: C32H50O8 MolecularWeight: 562.7346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)C(=O)OC(C)(C)C)C(=O)OC1CCOC1=O)C(=O)OC2(C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CCC(C)(CC(C)(CC(C)C(=O)OC(C)(C)C)C(=O)OC1CCOC1=O)C(=O)OC2(C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C32H50O8/c1-9-30(6,28(36)40-32(8)22-13-20-12-21(15-22)16-23(32)14-20)18-31(7,17-19(2)25(33)39-29(3,4)5)27(35)38-24-10-11-37-26(24)34/h19-24H,9-18H2,1-8H3