(2-methyl-2-adamantyl) 3-methyl-2-[2-[4-(3-methyloxan-2-yl)-2,5-bis(oxidanylidene)oxolan-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-5-carboxylate

Systemtic Name: (2-methyl-2-adamantyl) 3-methyl-2-[2-[4-(3-methyloxan-2-yl)-2,5-bis(oxidanylidene)oxolan-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-5-carboxylate Openeye Name: (2-methyl-2-adamantyl) 5-[6-tert-butoxycarbonyl-3-[4-(3-methyltetrahydropyran-2-yl)-2,5-dioxo-tetrahydrofuran-3-yl]norbornan-2-yl]-6-methyl-norbornane-2-carboxylate CAS Name: 3-methyl-2-[2-[4-(3-methyl-2-oxanyl)-2,5-dioxo-3-oxolanyl]-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-bicyclo[2.2.1]heptanyl]-5-bicyclo[2.2.1]heptanecarboxylic acid (2-methyl-2-adamantyl) ester IUPAC Name: (2-methyl-2-adamantyl) 3-methyl-2-[2-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-5-carboxylate Traditional Name: 5-[6-tert-butoxycarbonyl-3-[2,5-diketo-4-(3-methyltetrahydropyran-2-yl)tetrahydrofuran-3-yl]norbornan-2-yl]-6-methyl-norbornane-2-carboxylic acid (2-methyl-2-adamantyl) ester Formula: C42H60O8 MolecularWeight: 692.921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCOC1C2C(C(=O)OC2=O)C3C4CC(C3C5C(C6CC5CC6C(=O)OC7(C8CC9CC(C8)CC7C9)C)C)C(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CCCOC1C2C(C(=O)OC2=O)C3C4CC(C3C5C(C6CC5CC6C(=O)OC7(C8CC9CC(C8)CC7C9)C)C)C(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C42H60O8/c1-19-8-7-9-47-36(19)35-34(39(45)48-40(35)46)32-24-16-28(30(18-24)37(43)49-41(3,4)5)33(32)31-20(2)27-15-23(31)17-29(27)38(44)50-42(6)25-11-21-10-22(13-25)14-26(42)12-21/h19-36H,7-18H2,1-6H3