2-[2-ethyl-4-methyl-5-[(2-methyl-2-adamantyl)oxy]-5-oxidanylidene-pentanoyl]oxy-3,3-dimethyl-4-oxidanyl-butanoic acid

Systemtic Name: 2-[2-ethyl-4-methyl-5-[(2-methyl-2-adamantyl)oxy]-5-oxidanylidene-pentanoyl]oxy-3,3-dimethyl-4-oxidanyl-butanoic acid Openeye Name: 2-[2-ethyl-4-methyl-5-[(2-methyl-2-adamantyl)oxy]-5-oxo-pentanoyl]oxy-4-hydroxy-3,3-dimethyl-butanoic acid CAS Name: 2-[2-ethyl-4-methyl-5-[(2-methyl-2-adamantyl)oxy]-1,5-dioxopentoxy]-4-hydroxy-3,3-dimethylbutanoic acid IUPAC Name: 2-[2-ethyl-4-methyl-5-[(2-methyl-2-adamantyl)oxy]-5-oxopentanoyl]oxy-4-hydroxy-3,3-dimethylbutanoic acid Traditional Name: 2-[2-ethyl-5-keto-4-methyl-5-[(2-methyl-2-adamantyl)oxy]pentanoyl]oxy-4-hydroxy-3,3-dimethyl-butyric acid Formula: C25H40O7 MolecularWeight: 452.5809

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC1(C2CC3CC(C2)CC1C3)C)C(=O)OC(C(=O)O)C(C)(C)CO

Isomeric SMILES

CCC(CC(C)C(=O)OC1(C2CC3CC(C2)CC1C3)C)C(=O)OC(C(=O)O)C(C)(C)CO

InChI

InChI=1S/C25H40O7/c1-6-17(23(30)31-20(21(27)28)24(3,4)13-26)7-14(2)22(29)32-25(5)18-9-15-8-16(11-18)12-19(25)10-15/h14-20,26H,6-13H2,1-5H3,(H,27,28)