(4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(3E)-3-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]hexyl]-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)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(3E)-3-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]hexyl]-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)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-[(3E)-3-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]hexyl]-8-(2-thienylmethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-[(3E)-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]hexyl]-8-(thiophen-2-ylmethyl)-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-[(3E)-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]hexyl]-8-(thiophen-2-ylmethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-[(E)-4-(4-hydroxy-3-iodo-5-methoxy-phenyl)-3-propyl-but-3-enyl]-8-(2-thenyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C46H53BINO7SSi MolecularWeight: 929.78149

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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[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C(=O)N(C3=O)CC7=CC=CS7)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[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C(=O)N(C3=O)CC7=CC=CS7)O

InChI

InChI=1S/C46H53BINO7SSi/c1-6-14-30(23-31-24-38(48)43(50)40(25-31)54-5)20-21-39-41-32(29-55-58(46(2,3)4,34-16-9-7-10-17-34)35-18-11-8-12-19-35)26-36-42(37(41)27-47(53)56-39)45(52)49(44(36)51)28-33-15-13-22-57-33/h7-13,15-19,22-25,36-37,39,42,50,53H,6,14,20-21,26-29H2,1-5H3/b30-23+/t36-,37+,39-,42-/m1/s1