(4R,6aR,9aS,9bR)-4-[(E)-4-(3-fluoranyl-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-5-(methoxymethyl)-2-oxidanyl-8-(thiophen-2-ylmethyl)-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-(methoxymethyl)-2-oxidanyl-8-(thiophen-2-ylmethyl)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-methyl-but-3-enyl]-2-hydroxy-5-(methoxymethyl)-8-(2-thienylmethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-4-[(E)-4-(3-fluoro-4-hydroxyphenyl)-3-methylbut-3-enyl]-2-hydroxy-5-(methoxymethyl)-8-(thiophen-2-ylmethyl)-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-4-[(E)-4-(3-fluoro-4-hydroxyphenyl)-3-methylbut-3-enyl]-2-hydroxy-5-(methoxymethyl)-8-(thiophen-2-ylmethyl)-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-methyl-but-3-enyl]-2-hydroxy-5-(methoxymethyl)-8-(2-thenyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C28H31BFNO6S MolecularWeight: 539.423243

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C=C4)O)F)C)COC)C(=O)N(C3=O)CC5=CC=CS5)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)COC)C(=O)N(C3=O)CC5=CC=CS5)O

InChI

InChI=1S/C28H31BFNO6S/c1-16(10-17-6-7-23(32)22(30)11-17)5-8-24-25-18(15-36-2)12-20-26(21(25)13-29(35)37-24)28(34)31(27(20)33)14-19-4-3-9-38-19/h3-4,6-7,9-11,20-21,24,26,32,35H,5,8,12-15H2,1-2H3/b16-10+/t20-,21+,24-,26-/m1/s1