(4R,6aR,9aS,9bR)-4-[(Z)-4-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-3-phenyl-but-3-enyl]-5-methyl-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-[(Z)-4-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-3-phenyl-but-3-enyl]-5-methyl-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)-2-hydroxy-4-[(Z)-4-(4-hydroxy-3-iodo-5-methoxy-phenyl)-3-phenyl-but-3-enyl]-5-methyl-8-(2-thienylmethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-(4-hydroxy-3-iodo-5-methoxyphenyl)-3-phenylbut-3-enyl]-5-methyl-8-(thiophen-2-ylmethyl)-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-(4-hydroxy-3-iodo-5-methoxyphenyl)-3-phenylbut-3-enyl]-5-methyl-8-(thiophen-2-ylmethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-(4-hydroxy-3-iodo-5-methoxy-phenyl)-3-phenyl-but-3-enyl]-5-methyl-8-(2-thenyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C33H33BINO6S MolecularWeight: 709.39869

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C(=C4)I)O)OC)C5=CC=CC=C5)C)C(=O)N(C3=O)CC6=CC=CS6)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)/C5=CC=CC=C5)C)C(=O)N(C3=O)CC6=CC=CS6)O

InChI

InChI=1S/C33H33BINO6S/c1-19-13-24-30(33(39)36(32(24)38)18-23-9-6-12-43-23)25-17-34(40)42-27(29(19)25)11-10-22(21-7-4-3-5-8-21)14-20-15-26(35)31(37)28(16-20)41-2/h3-9,12,14-16,24-25,27,30,37,40H,10-11,13,17-18H2,1-2H3/b22-14-/t24-,25+,27-,30-/m1/s1