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

Systemtic Name: methyl (4R,6aR,9aS,9bR)-5-(hydroxymethyl)-4-[(3E)-3-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]hexyl]-2-oxidanyl-7,9-bis(oxidanylidene)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-8-carboxylate Openeye Name: methyl (4R,6aR,9aS,9bR)-2-hydroxy-4-[(3E)-3-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]hexyl]-5-(hydroxymethyl)-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-8-carboxylate CAS Name: (4R,6aR,9aS,9bR)-2-hydroxy-4-[(3E)-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]hexyl]-5-(hydroxymethyl)-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-8-carboxylic acid methyl ester IUPAC Name: methyl (4R,6aR,9aS,9bR)-2-hydroxy-4-[(3E)-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]hexyl]-5-(hydroxymethyl)-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-8-carboxylate Traditional Name: (4R,6aR,9aS,9bR)-2-hydroxy-4-[(E)-4-(4-hydroxy-3-iodo-5-methoxy-phenyl)-3-propyl-but-3-enyl]-7,9-diketo-5-methylol-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-8-carboxylic acid methyl ester Formula: C27H33BINO9 MolecularWeight: 653.26769

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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)CO)C(=O)N(C3=O)C(=O)OC)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)CO)C(=O)N(C3=O)C(=O)OC)O

InChI

InChI=1S/C27H33BINO9/c1-4-5-14(8-15-9-19(29)24(32)21(10-15)37-2)6-7-20-22-16(13-31)11-17-23(18(22)12-28(36)39-20)26(34)30(25(17)33)27(35)38-3/h8-10,17-18,20,23,31-32,36H,4-7,11-13H2,1-3H3/b14-8+/t17-,18+,20-,23-/m1/s1