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

Systemtic Name: (4R,6aR,9aS,9bR)-8-cyclohexyl-4-[(3E)-3-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]hexyl]-2-oxidanyl-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-8-cyclohexyl-2-hydroxy-4-[(3E)-3-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]hexyl]-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-8-cyclohexyl-2-hydroxy-4-[(3E)-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]hexyl]-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-cyclohexyl-2-hydroxy-4-[(3E)-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]hexyl]-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-8-cyclohexyl-2-hydroxy-4-[(E)-4-(4-hydroxy-3-iodo-5-methoxy-phenyl)-3-propyl-but-3-enyl]-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C37H45BINO7 MolecularWeight: 753.47117

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C(=C4)I)O)OC)CCC)COC5=CC=CC=C5)C(=O)N(C3=O)C6CCCCC6)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)/CCC)COC5=CC=CC=C5)C(=O)N(C3=O)C6CCCCC6)O

InChI

InChI=1S/C37H45BINO7/c1-3-10-23(17-24-18-30(39)35(41)32(19-24)45-2)15-16-31-33-25(22-46-27-13-8-5-9-14-27)20-28-34(29(33)21-38(44)47-31)37(43)40(36(28)42)26-11-6-4-7-12-26/h5,8-9,13-14,17-19,26,28-29,31,34,41,44H,3-4,6-7,10-12,15-16,20-22H2,1-2H3/b23-17+/t28-,29+,31-,34-/m1/s1