(4R,6aR,9aS,9bR)-8-cyclohexyl-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-5-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)-8-cyclohexyl-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-5-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)-8-cyclohexyl-4-[(3E)-3-[(3-fluoro-4-hydroxy-phenyl)methylene]hexyl]-2-hydroxy-5-methyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-8-cyclohexyl-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-5-methyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-cyclohexyl-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-5-methyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-8-cyclohexyl-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-propyl-but-3-enyl]-2-hydroxy-5-methyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C30H39BFNO5 MolecularWeight: 523.443763

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C=C4)O)F)CCC)C)C(=O)N(C3=O)C5CCCCC5)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)C)C(=O)N(C3=O)C5CCCCC5)O

InChI

InChI=1S/C30H39BFNO5/c1-3-7-19(15-20-10-12-25(34)24(32)16-20)11-13-26-27-18(2)14-22-28(23(27)17-31(37)38-26)30(36)33(29(22)35)21-8-5-4-6-9-21/h10,12,15-16,21-23,26,28,34,37H,3-9,11,13-14,17H2,1-2H3/b19-15+/t22-,23+,26-,28-/m1/s1