(4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-8-methyl-2-oxidanyl-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-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-8-methyl-2-oxidanyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(3E)-3-[(3-fluoro-4-hydroxy-phenyl)methylene]hexyl]-2-hydroxy-8-methyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-8-methyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-8-methyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-propyl-but-3-enyl]-2-hydroxy-8-methyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C41H49BFNO6Si MolecularWeight: 709.725763

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C41H49BFNO6Si/c1-6-13-27(22-28-18-20-35(45)34(43)23-28)19-21-36-37-29(24-32-38(33(37)25-42(48)50-36)40(47)44(5)39(32)46)26-49-51(41(2,3)4,30-14-9-7-10-15-30)31-16-11-8-12-17-31/h7-12,14-18,20,22-23,32-33,36,38,45,48H,6,13,19,21,24-26H2,1-5H3/b27-22+/t32-,33+,36-,38-/m1/s1