(4R,6aR,9aS,9bR)-4-[(E)-4-(3-fluoranyl-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-5-(hydroxymethyl)-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)-4-[(E)-4-(3-fluoranyl-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-5-(hydroxymethyl)-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)-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-methyl-but-3-enyl]-2-hydroxy-5-(hydroxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(E)-4-(3-fluoro-4-hydroxyphenyl)-3-methylbut-3-enyl]-2-hydroxy-5-(hydroxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(E)-4-(3-fluoro-4-hydroxyphenyl)-3-methylbut-3-enyl]-2-hydroxy-5-(hydroxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-methyl-but-3-enyl]-2-hydroxy-5-methylol-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C34H34BFN2O6 MolecularWeight: 596.452963

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C=C4)O)F)C)CO)C(=O)N(C3=O)C5=CC=C(C=C5)NC6=CC=CC=C6)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)CO)C(=O)N(C3=O)C5=CC=C(C=C5)NC6=CC=CC=C6)O

InChI

InChI=1S/C34H34BFN2O6/c1-20(15-21-8-13-29(40)28(36)16-21)7-14-30-31-22(19-39)17-26-32(27(31)18-35(43)44-30)34(42)38(33(26)41)25-11-9-24(10-12-25)37-23-5-3-2-4-6-23/h2-6,8-13,15-16,26-27,30,32,37,39-40,43H,7,14,17-19H2,1H3/b20-15+/t26-,27+,30-,32-/m1/s1