(4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(E)-4-(3-fluoranyl-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-2-oxidanyl-5-propyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione

Systemtic Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(E)-4-(3-fluoranyl-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-2-oxidanyl-5-propyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-methyl-but-3-enyl]-2-hydroxy-5-propyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(E)-4-(3-fluoro-4-hydroxyphenyl)-3-methylbut-3-enyl]-2-hydroxy-5-propyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(E)-4-(3-fluoro-4-hydroxyphenyl)-3-methylbut-3-enyl]-2-hydroxy-5-propyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-methyl-but-3-enyl]-2-hydroxy-5-propyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C32H31BF7NO5 MolecularWeight: 653.392062

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C=C4)O)F)C)CCC)C(=O)N(C3=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)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)/C)CCC)C(=O)N(C3=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C32H31BF7NO5/c1-3-4-18-11-22-28(30(44)41(29(22)43)21-13-19(31(35,36)37)12-20(14-21)32(38,39)40)23-15-33(45)46-26(27(18)23)8-5-16(2)9-17-6-7-25(42)24(34)10-17/h6-7,9-10,12-14,22-23,26,28,42,45H,3-5,8,11,15H2,1-2H3/b16-9+/t22-,23+,26-,28-/m1/s1