(4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-5-(hydroxymethyl)-2-oxidanyl-8-phenyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione

Systemtic Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-5-(hydroxymethyl)-2-oxidanyl-8-phenyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxy-phenyl)methylene]hexyl]-2-hydroxy-5-(hydroxymethyl)-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-5-(hydroxymethyl)-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-5-(hydroxymethyl)-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-propyl-but-3-enyl]-2-hydroxy-5-methylol-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C30H33BFNO6 MolecularWeight: 533.395523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H33BFNO6/c1-2-6-18(13-19-9-11-25(35)24(32)14-19)10-12-26-27-20(17-34)15-22-28(23(27)16-31(38)39-26)30(37)33(29(22)36)21-7-4-3-5-8-21/h3-5,7-9,11,13-14,22-23,26,28,34-35,38H,2,6,10,12,15-17H2,1H3/b18-13+/t22-,23+,26-,28-/m1/s1