(4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(Z)-4-(3-fluoranyl-4-oxidanyl-phenyl)-3-phenyl-but-3-enyl]-2-oxidanyl-8-(4-phenylazanylphenyl)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione

Systemtic Name: (4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(Z)-4-(3-fluoranyl-4-oxidanyl-phenyl)-3-phenyl-but-3-enyl]-2-oxidanyl-8-(4-phenylazanylphenyl)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(Z)-4-(3-fluoro-4-hydroxy-phenyl)-3-phenyl-but-3-enyl]-2-hydroxy-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(Z)-4-(3-fluoro-4-hydroxyphenyl)-3-phenylbut-3-enyl]-2-hydroxy-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(Z)-4-(3-fluoro-4-hydroxyphenyl)-3-phenylbut-3-enyl]-2-hydroxy-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(Z)-4-(3-fluoro-4-hydroxy-phenyl)-3-phenyl-but-3-enyl]-2-hydroxy-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C55H54BFN2O6Si MolecularWeight: 896.921963

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C=C4)O)F)C5=CC=CC=C5)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)C(=O)N(C3=O)C8=CC=C(C=C8)NC9=CC=CC=C9)O

Isomeric SMILES

B1(C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)CC/C(=C/C4=CC(=C(C=C4)O)F)/C5=CC=CC=C5)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)C(=O)N(C3=O)C8=CC=C(C=C8)NC9=CC=CC=C9)O

InChI

InChI=1S/C55H54BFN2O6Si/c1-55(2,3)66(44-20-12-6-13-21-44,45-22-14-7-15-23-45)64-36-40-34-46-52(54(62)59(53(46)61)43-28-26-42(27-29-43)58-41-18-10-5-11-19-41)47-35-56(63)65-50(51(40)47)31-25-39(38-16-8-4-9-17-38)32-37-24-30-49(60)48(57)33-37/h4-24,26-30,32-33,46-47,50,52,58,60,63H,25,31,34-36H2,1-3H3/b39-32-/t46-,47+,50-,52-/m1/s1