O1-(2-methyl-2-adamantyl) O5-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-5-(oxolan-2-yloxy)pentan-3-yl] O4-(2-oxidanylideneoxolan-3-yl) 1,1,4-trimethylheptane-1,4,5-tricarboxylate

Systemtic Name: O1-(2-methyl-2-adamantyl) O5-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-5-(oxolan-2-yloxy)pentan-3-yl] O4-(2-oxidanylideneoxolan-3-yl) 1,1,4-trimethylheptane-1,4,5-tricarboxylate Openeye Name: O5-[3-tert-butoxy-3-oxo-1-(2-tetrahydrofuran-2-yloxyethyl)propyl] O1-(2-methyl-2-adamantyl) O4-(2-oxotetrahydrofuran-3-yl) 1,1,4-trimethylheptane-1,4,5-tricarboxylate CAS Name: 1,1,4-trimethylheptane-1,4,5-tricarboxylic acid O1-(2-methyl-2-adamantyl) ester O5-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-(2-oxolanyloxy)pentan-3-yl] ester O4-(2-oxo-3-oxolanyl) ester IUPAC Name: 1-O-(2-methyl-2-adamantyl) 5-O-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-(oxolan-2-yloxy)pentan-3-yl] 4-O-(2-oxooxolan-3-yl) 1,1,4-trimethylheptane-1,4,5-tricarboxylate Traditional Name: 1,1,4-trimethylheptane-1,4,5-tricarboxylic acid O5-[3-tert-butoxy-3-keto-1-[2-(tetrahydrofuryloxy)ethyl]propyl] ester O4-(2-ketotetrahydrofuran-3-yl) ester O1-(2-methyl-2-adamantyl) ester Formula: C41H64O12 MolecularWeight: 748.93966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(CCOC1CCCO1)CC(=O)OC(C)(C)C)C(C)(CCC(C)(C)C(=O)OC2(C3CC4CC(C3)CC2C4)C)C(=O)OC5CCOC5=O

Isomeric SMILES

CCC(C(=O)OC(CCOC1CCCO1)CC(=O)OC(C)(C)C)C(C)(CCC(C)(C)C(=O)OC2(C3CC4CC(C3)CC2C4)C)C(=O)OC5CCOC5=O

InChI

InChI=1S/C41H64O12/c1-9-30(34(43)50-29(24-32(42)52-38(2,3)4)12-17-48-33-11-10-16-47-33)40(7,37(46)51-31-13-18-49-35(31)44)15-14-39(5,6)36(45)53-41(8)27-20-25-19-26(22-27)23-28(41)21-25/h25-31,33H,9-24H2,1-8H3