[2-[4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-(2-methylbut-2-enoyloxy)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxidanylidene-2H-furan-3-yl)ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-(2-methylbut-2-enoyloxy)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxidanylidene-2H-furan-3-yl)ethyl] 4-bromanylbenzoate Openeye Name: [2-[4-acetoxy-4a-(acetoxymethyl)-1,2-dimethyl-8-(2-methylbut-2-enoyloxy)spiro[decalin-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-(2-methyl-1-oxobut-2-enoxy)-1-spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]yl]-1-(5-oxo-2H-furan-3-yl)ethyl] ester IUPAC Name: [2-[4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-(2-methylbut-2-enoyloxy)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[4-acetoxy-4a-(acetoxymethyl)-1,2-dimethyl-8-(2-methylbut-2-enoyloxy)spiro[decalin-5,2'-oxirane]-1-yl]-1-(5-keto-2H-furan-3-yl)ethyl] ester Formula: C36H43BrO11 MolecularWeight: 731.62402

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)OC(=O)C5=CC=C(C=C5)Br)COC(=O)C

Isomeric SMILES

CC=C(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)OC(=O)C5=CC=C(C=C5)Br)COC(=O)C

InChI

InChI=1S/C36H43BrO11/c1-7-20(2)32(41)47-27-12-13-35(18-45-35)36(19-44-22(4)38)29(46-23(5)39)14-21(3)34(6,31(27)36)16-28(25-15-30(40)43-17-25)48-33(42)24-8-10-26(37)11-9-24/h7-11,15,21,27-29,31H,12-14,16-19H2,1-6H3