[(3R,5S)-6-[(1R,2R,3aS,4R,5R,7aR)-4-[(E)-2-bromanyl-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-5-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxy-hexan-3-yl] benzoate

Systemtic Name: [(3R,5S)-6-[(1R,2R,3aS,4R,5R,7aR)-4-[(E)-2-bromanyl-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-5-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxy-hexan-3-yl] benzoate Openeye Name: [(1R,3S)-4-[(1R,2R,3aS,4R,5R,7aR)-4-[(E)-3-allyloxy-2-bromo-3-oxo-prop-1-enyl]-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]butyl] benzoate CAS Name: benzoic acid [(3R,5S)-6-[(1R,2R,3aS,4R,5R,7aR)-4-[(E)-2-bromo-3-oxo-3-prop-2-enoxyprop-1-enyl]-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-5-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl] ester IUPAC Name: [(3R,5S)-6-[(1R,2R,3aS,4R,5R,7aR)-4-[(E)-2-bromo-3-oxo-3-prop-2-enoxyprop-1-enyl]-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-5-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl] benzoate Traditional Name: benzoic acid [(1R,3S)-4-[(1R,2R,3aS,4R,5R,7aR)-4-[(E)-3-allyloxy-2-bromo-3-keto-prop-1-enyl]-2-methyl-1-p-anisyloxy-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]butyl] ester Formula: C59H77BrO8Si2 MolecularWeight: 1050.31288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(C1OCC3=CC=C(C=C3)OC)C=CC(C2C=C(C(=O)OCC=C)Br)CC(CC(CCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OC(=O)C6=CC=CC=C6)O[Si](C)(C)C(C)(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]2[C@H]([C@@H]1OCC3=CC=C(C=C3)OC)C=C[C@H]([C@H]2/C=C(\C(=O)OCC=C)/Br)C[C@@H](C[C@@H](CCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OC(=O)C6=CC=CC=C6)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C59H77BrO8Si2/c1-12-35-64-57(62)54(60)40-52-45(30-33-51-53(52)37-42(2)55(51)65-41-43-28-31-46(63-9)32-29-43)38-48(68-69(10,11)58(3,4)5)39-47(67-56(61)44-22-16-13-17-23-44)34-36-66-70(59(6,7)8,49-24-18-14-19-25-49)50-26-20-15-21-27-50/h12-33,40,42,45,47-48,51-53,55H,1,34-39,41H2,2-11H3/b54-40+/t42-,45+,47-,48+,51-,52-,53-,55-/m1/s1