[3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoranyl-4-oxidanyl-phenyl)-1,3,7,10-tetrakis(oxidanylidene)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid

Systemtic Name: [3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoranyl-4-oxidanyl-phenyl)-1,3,7,10-tetrakis(oxidanylidene)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid Openeye Name: [3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoro-4-hydroxy-phenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid CAS Name: [3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoro-4-hydroxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid IUPAC Name: [3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoro-4-hydroxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid Traditional Name: [3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoro-4-hydroxy-phenyl)-1,3,7,10-tetraketo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[2,3-e]isoindol-2-yl]phenyl]boronic acid Formula: C40H31BFNO7 MolecularWeight: 667.486043

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)C(=CC(=O)C5(C4C6=CC(=C(C=C6)O)F)C7=CC=CC=C7)C8=CC=CC=C8)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=CC(=C(C=C6)O)F)C7=CC=CC=C7)C8=CC=CC=C8)(O)O

InChI

InChI=1S/C40H31BFNO7/c42-32-18-23(14-17-33(32)44)36-27-15-16-28-35(39(48)43(38(28)47)26-13-7-12-25(19-26)41(49)50)30(27)20-31-37(46)29(22-8-3-1-4-9-22)21-34(45)40(31,36)24-10-5-2-6-11-24/h1-15,17-19,21,28,30-31,35-36,44,49-50H,16,20H2/t28-,30+,31-,35-,36-,40-/m0/s1