4-[2-ethyl-4-methyl-5-[(4-oxidanyl-1-adamantyl)oxy]-5-oxidanylidene-pentanoyl]oxy-4-oxidanyl-butanoic acid

Systemtic Name: 4-[2-ethyl-4-methyl-5-[(4-oxidanyl-1-adamantyl)oxy]-5-oxidanylidene-pentanoyl]oxy-4-oxidanyl-butanoic acid Openeye Name: 4-[2-ethyl-5-[(4-hydroxy-1-adamantyl)oxy]-4-methyl-5-oxo-pentanoyl]oxy-4-hydroxy-butanoic acid CAS Name: 4-[2-ethyl-5-[(4-hydroxy-1-adamantyl)oxy]-4-methyl-1,5-dioxopentoxy]-4-hydroxybutanoic acid IUPAC Name: 4-[2-ethyl-5-[(4-hydroxy-1-adamantyl)oxy]-4-methyl-5-oxopentanoyl]oxy-4-hydroxybutanoic acid Traditional Name: 4-[2-ethyl-5-[(4-hydroxy-1-adamantyl)oxy]-5-keto-4-methyl-pentanoyl]oxy-4-hydroxy-butyric acid Formula: C22H34O8 MolecularWeight: 426.50056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC12CC3CC(C1)C(C(C3)C2)O)C(=O)OC(CCC(=O)O)O

Isomeric SMILES

CCC(CC(C)C(=O)OC12CC3CC(C1)C(C(C3)C2)O)C(=O)OC(CCC(=O)O)O

InChI

InChI=1S/C22H34O8/c1-3-14(21(28)29-18(25)5-4-17(23)24)6-12(2)20(27)30-22-9-13-7-15(10-22)19(26)16(8-13)11-22/h12-16,18-19,25-26H,3-11H2,1-2H3,(H,23,24)