[(3S,3aS,4S,6aS,10S,10aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7,7-dimethyl-3-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-1-oxidanylidene-3a,4,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-10-yl] 4-nitrobenzoate

Systemtic Name: [(3S,3aS,4S,6aS,10S,10aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7,7-dimethyl-3-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-1-oxidanylidene-3a,4,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-10-yl] 4-nitrobenzoate Openeye Name: [(3S,3aS,4S,6aS,10S,10aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-7,7-dimethyl-1-oxo-3a,4,6a,8,9,10-hexahydro-3H-benzo[d]isobenzofuran-10-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S,3aS,4S,6aS,10S,10aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7,7-dimethyl-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxo-3a,4,6a,8,9,10-hexahydro-3H-benzo[d]isobenzofuran-10-yl] ester IUPAC Name: [(3S,3aS,4S,6aS,10S,10aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7,7-dimethyl-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxo-3a,4,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-10-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S,3aS,4S,6aS,10S,10aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-1-keto-7,7-dimethyl-3a,4,6a,8,9,10-hexahydro-3H-benz[d]isobenzofuran-10-yl] ester Formula: C48H61NO8Si MolecularWeight: 808.08534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2C3C(C=CC4C3(C(CCC4(C)C)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)O2)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)O[C@@H]2[C@H]3[C@H](C=C[C@@H]4[C@@]3([C@H](CCC4(C)C)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)O2)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)C(C)C

InChI

InChI=1S/C48H61NO8Si/c1-31(2)38-25-19-32(3)29-39(38)55-44-42-34(30-54-58(46(4,5)6,36-15-11-9-12-16-36)37-17-13-10-14-18-37)22-26-40-47(7,8)28-27-41(48(40,42)45(51)57-44)56-43(50)33-20-23-35(24-21-33)49(52)53/h9-18,20-24,26,31-32,34,38-42,44H,19,25,27-30H2,1-8H3/t32-,34+,38+,39-,40-,41-,42+,44-,48-/m0/s1