bis(oxan-2-yl) 5-[5-[[3,5-bis(oxidanyl)-1-adamantyl]oxy]-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl]oxyadamantane-1,3-dicarboxylate

Systemtic Name: bis(oxan-2-yl) 5-[5-[[3,5-bis(oxidanyl)-1-adamantyl]oxy]-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl]oxyadamantane-1,3-dicarboxylate Openeye Name: ditetrahydropyran-2-yl 5-[5-[(3,5-dihydroxy-1-adamantyl)oxy]-2-ethyl-2,4,4-trimethyl-5-oxo-pentanoyl]oxyadamantane-1,3-dicarboxylate CAS Name: 5-[5-[(3,5-dihydroxy-1-adamantyl)oxy]-2-ethyl-2,4,4-trimethyl-1,5-dioxopentoxy]adamantane-1,3-dicarboxylic acid bis(2-oxanyl) ester IUPAC Name: bis(oxan-2-yl) 5-[5-[(3,5-dihydroxy-1-adamantyl)oxy]-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl]oxyadamantane-1,3-dicarboxylate Traditional Name: 5-[5-[(3,5-dihydroxy-1-adamantyl)oxy]-2-ethyl-5-keto-2,4,4-trimethyl-pentanoyl]oxyadamantane-1,3-dicarboxylic acid ditetrahydropyran-2-yl ester Formula: C42H62O12 MolecularWeight: 758.93448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(=O)OC45CC6CC(C4)(CC(C6)(C5)C(=O)OC7CCCCO7)C(=O)OC8CCCCO8

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(=O)OC45CC6CC(C4)(CC(C6)(C5)C(=O)OC7CCCCO7)C(=O)OC8CCCCO8

InChI

InChI=1S/C42H62O12/c1-5-36(4,20-35(2,3)31(43)53-42-19-28-16-39(47,25-42)24-40(48,17-28)26-42)32(44)54-41-18-27-14-37(22-41,33(45)51-29-10-6-8-12-49-29)21-38(15-27,23-41)34(46)52-30-11-7-9-13-50-30/h27-30,47-48H,5-26H2,1-4H3