2-adamantyl 1-methoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocine-6-carboxylate

Systemtic Name: 2-adamantyl 1-methoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocine-6-carboxylate Openeye Name: 2-adamantyl 2-(1-hydroxy-3-methyl-butyl)-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocine-6-carboxylate CAS Name: 2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-carboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocine-6-carboxylate Traditional Name: 2-(1-hydroxy-3-methyl-butyl)-12-keto-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-6-carboxylic acid 2-adamantyl ester Formula: C32H38O7 MolecularWeight: 534.63992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C(=O)OC3C4CC5CC(C4)CC3C5)OC6=C(C(=C(C=C6)C(CC(C)C)O)OC)C(=O)OC2

Isomeric SMILES

CC1=CC2=C(C(=C1)C(=O)OC3C4CC5CC(C4)CC3C5)OC6=C(C(=C(C=C6)C(CC(C)C)O)OC)C(=O)OC2

InChI

InChI=1S/C32H38O7/c1-16(2)7-25(33)23-5-6-26-27(30(23)36-4)32(35)37-15-22-8-17(3)9-24(29(22)38-26)31(34)39-28-20-11-18-10-19(13-20)14-21(28)12-18/h5-6,8-9,16,18-21,25,28,33H,7,10-15H2,1-4H3