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

Systemtic Name: (4R,6aR,9aS,9bR)-5-ethyl-4-[(E)-4-(3-fluoranyl-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-2-oxidanyl-8-propyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-5-ethyl-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-methyl-but-3-enyl]-2-hydroxy-8-propyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-5-ethyl-4-[(E)-4-(3-fluoro-4-hydroxyphenyl)-3-methylbut-3-enyl]-2-hydroxy-8-propyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-5-ethyl-4-[(E)-4-(3-fluoro-4-hydroxyphenyl)-3-methylbut-3-enyl]-2-hydroxy-8-propyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-5-ethyl-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-methyl-but-3-enyl]-2-hydroxy-8-propyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C26H33BFNO5 MolecularWeight: 469.353323

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H33BFNO5/c1-4-10-29-25(31)18-13-17(5-2)23-19(24(18)26(29)32)14-27(33)34-22(23)9-6-15(3)11-16-7-8-21(30)20(28)12-16/h7-8,11-12,18-19,22,24,30,33H,4-6,9-10,13-14H2,1-3H3/b15-11+/t18-,19+,22-,24-/m1/s1