6-[(3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-5-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-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-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-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-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylene]hexyl]-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-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-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-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-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-[(E,1R)-4-ethyl-1-hydroxy-5-(2-hydroxyphenyl)pent-4-enyl]-1,3-diketo-4-methylol-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid Formula: C45H57NO8Si MolecularWeight: 768.02148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=CC=C1O)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)CCCCCC(=O)O)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O

Isomeric SMILES

CC/C(=C\C1=CC=CC=C1O)/CC[C@H](C2=C(C[C@@H]3[C@H]([C@H]2CO)C(=O)N(C3=O)CCCCCC(=O)O)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O

InChI

InChI=1S/C45H57NO8Si/c1-5-31(27-32-17-14-15-22-38(32)48)24-25-39(49)41-33(28-36-42(37(41)29-47)44(53)46(43(36)52)26-16-8-13-23-40(50)51)30-54-55(45(2,3)4,34-18-9-6-10-19-34)35-20-11-7-12-21-35/h6-7,9-12,14-15,17-22,27,36-37,39,42,47-49H,5,8,13,16,23-26,28-30H2,1-4H3,(H,50,51)/b31-27+/t36-,37+,39-,42-/m1/s1