6-[(3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-5-[(Z,1R)-5-(2-hydroxyphenyl)-1-oxidanyl-4-phenyl-pent-4-enyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid

Systemtic Name: 6-[(3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-5-[(Z,1R)-5-(2-hydroxyphenyl)-1-oxidanyl-4-phenyl-pent-4-enyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid Openeye Name: 6-[(3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(Z,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-phenyl-pent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid CAS Name: 6-[(3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(Z,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid IUPAC Name: 6-[(3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(Z,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid Traditional Name: 6-[(3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(Z,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-phenyl-pent-4-enyl]-1,3-diketo-4-methylol-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid Formula: C49H57NO8Si MolecularWeight: 816.06428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3=C(C(C4C(C3)C(=O)N(C4=O)CCCCCC(=O)O)CO)C(CCC(=CC5=CC=CC=C5O)C6=CC=CC=C6)O

Isomeric SMILES

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3=C([C@@H]([C@H]4[C@@H](C3)C(=O)N(C4=O)CCCCCC(=O)O)CO)[C@@H](CC/C(=C/C5=CC=CC=C5O)/C6=CC=CC=C6)O

InChI

InChI=1S/C49H57NO8Si/c1-49(2,3)59(38-21-10-5-11-22-38,39-23-12-6-13-24-39)58-33-37-31-40-46(48(57)50(47(40)56)29-17-7-14-26-44(54)55)41(32-51)45(37)43(53)28-27-35(34-18-8-4-9-19-34)30-36-20-15-16-25-42(36)52/h4-6,8-13,15-16,18-25,30,40-41,43,46,51-53H,7,14,17,26-29,31-33H2,1-3H3,(H,54,55)/b35-30-/t40-,41+,43-,46-/m1/s1