[2-[3-[2-[(3-methoxy-5-oxidanyl-1-adamantyl)oxy]ethanoyl]-5-oxidanyl-1-adamantyl]-2-oxidanylidene-ethyl] 3-methoxycarbonyloxy-5-oxidanyl-adamantane-1-carboxylate

Systemtic Name: [2-[3-[2-[(3-methoxy-5-oxidanyl-1-adamantyl)oxy]ethanoyl]-5-oxidanyl-1-adamantyl]-2-oxidanylidene-ethyl] 3-methoxycarbonyloxy-5-oxidanyl-adamantane-1-carboxylate Openeye Name: [2-[3-hydroxy-5-[2-[(3-hydroxy-5-methoxy-1-adamantyl)oxy]acetyl]-1-adamantyl]-2-oxo-ethyl] 3-hydroxy-5-methoxycarbonyloxy-adamantane-1-carboxylate CAS Name: 3-hydroxy-5-methoxycarbonyloxy-1-adamantanecarboxylic acid [2-[3-hydroxy-5-[2-[(3-hydroxy-5-methoxy-1-adamantyl)oxy]-1-oxoethyl]-1-adamantyl]-2-oxoethyl] ester IUPAC Name: [2-[3-hydroxy-5-[2-[(3-hydroxy-5-methoxy-1-adamantyl)oxy]acetyl]-1-adamantyl]-2-oxoethyl] 3-hydroxy-5-methoxycarbonyloxyadamantane-1-carboxylate Traditional Name: 3-carbomethoxyoxy-5-hydroxy-adamantane-1-carboxylic acid [2-[3-hydroxy-5-[2-[(3-hydroxy-5-methoxy-1-adamantyl)oxy]acetyl]-1-adamantyl]-2-keto-ethyl] ester Formula: C38H52O12 MolecularWeight: 700.81228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC12CC3CC(C1)(CC(C3)(C2)O)C(=O)OCC(=O)C45CC6CC(C4)(CC(C6)(C5)O)C(=O)COC78CC9CC(C7)(CC(C9)(C8)OC)O

Isomeric SMILES

COC(=O)OC12CC3CC(C1)(CC(C3)(C2)O)C(=O)OCC(=O)C45CC6CC(C4)(CC(C6)(C5)O)C(=O)COC78CC9CC(C7)(CC(C9)(C8)OC)O

InChI

InChI=1S/C38H52O12/c1-46-29(42)50-38-11-24-5-32(18-38,17-34(44,7-24)21-38)28(41)48-12-26(39)30-3-23-4-31(14-30,16-33(43,6-23)15-30)27(40)13-49-37-10-25-8-35(45,20-37)19-36(9-25,22-37)47-2/h23-25,43-45H,3-22H2,1-2H3