(4R,6aR,9aS,9bR)-5-(hydroxymethyl)-4-[(E)-4-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-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)-5-(hydroxymethyl)-4-[(E)-4-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-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)-2-hydroxy-4-[(E)-4-(4-hydroxy-3-iodo-5-methoxy-phenyl)-3-methyl-but-3-enyl]-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)-2-hydroxy-4-[(E)-4-(4-hydroxy-3-iodo-5-methoxyphenyl)-3-methylbut-3-enyl]-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)-2-hydroxy-4-[(E)-4-(4-hydroxy-3-iodo-5-methoxyphenyl)-3-methylbut-3-enyl]-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)-2-hydroxy-4-[(E)-4-(4-hydroxy-3-iodo-5-methoxy-phenyl)-3-methyl-but-3-enyl]-5-methylol-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C35H36BIN2O7 MolecularWeight: 734.38501

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H36BIN2O7/c1-20(14-21-15-28(37)33(41)30(16-21)45-2)8-13-29-31-22(19-40)17-26-32(27(31)18-36(44)46-29)35(43)39(34(26)42)25-11-9-24(10-12-25)38-23-6-4-3-5-7-23/h3-7,9-12,14-16,26-27,29,32,38,40-41,44H,8,13,17-19H2,1-2H3/b20-14+/t26-,27+,29-,32-/m1/s1