6-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-9-(3-oxidanyl-1-adamantyl)-7-oxidanylidene-undecanoic acid

Systemtic Name: 6-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-9-(3-oxidanyl-1-adamantyl)-7-oxidanylidene-undecanoic acid Openeye Name: 4-tert-butoxycarbonyl-6-ethyl-9-(3-hydroxy-1-adamantyl)-2,2-dimethyl-7-oxo-undecanoic acid CAS Name: 6-ethyl-9-(3-hydroxy-1-adamantyl)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-7-oxoundecanoic acid IUPAC Name: 6-ethyl-9-(3-hydroxy-1-adamantyl)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxoundecanoic acid Traditional Name: 4-tert-butoxycarbonyl-6-ethyl-9-(3-hydroxy-1-adamantyl)-7-keto-2,2-dimethyl-undecanoic acid Formula: C30H50O6 MolecularWeight: 506.7144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)(C)C(=O)O)C(=O)OC(C)(C)C)C(=O)CC(CC)C12CC3CC(C1)CC(C3)(C2)O

Isomeric SMILES

CCC(CC(CC(C)(C)C(=O)O)C(=O)OC(C)(C)C)C(=O)CC(CC)C12CC3CC(C1)CC(C3)(C2)O

InChI

InChI=1S/C30H50O6/c1-8-21(11-22(17-28(6,7)26(33)34)25(32)36-27(3,4)5)24(31)12-23(9-2)29-13-19-10-20(14-29)16-30(35,15-19)18-29/h19-23,35H,8-18H2,1-7H3,(H,33,34)