2-[(2S,3R,4R,5S,6R)-5-[(S)-[(4aR,6R,7S,8S,8aR)-8-[tert-butyl(diphenyl)silyl]oxy-6-methylsulfanyl-spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-7-yl]oxy-(4-methoxyphenyl)methoxy]-2-(4-methoxyphenoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S,3R,4R,5S,6R)-5-[(S)-[(4aR,6R,7S,8S,8aR)-8-[tert-butyl(diphenyl)silyl]oxy-6-methylsulfanyl-spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-7-yl]oxy-(4-methoxyphenyl)methoxy]-2-(4-methoxyphenoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione Openeye Name: 2-[(2S,3R,4R,5S,6R)-5-[(S)-[(4aR,6R,7S,8S,8aR)-8-[tert-butyl(diphenyl)silyl]oxy-6-methylsulfanyl-spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-7-yl]oxy-(4-methoxyphenyl)methoxy]-4-benzyloxy-6-(benzyloxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-3-yl]isoindoline-1,3-dione CAS Name: 2-[(2S,3R,4R,5S,6R)-5-[(S)-[(4aR,6R,7S,8S,8aR)-8-[tert-butyl(diphenyl)silyl]oxy-6-(methylthio)-7-spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2,1'-cyclohexane]yl]oxy-(4-methoxyphenyl)methoxy]-2-(4-methoxyphenoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]isoindole-1,3-dione IUPAC Name: 2-[(2S,3R,4R,5S,6R)-5-[(S)-[(4aR,6R,7S,8S,8aR)-8-[tert-butyl(diphenyl)silyl]oxy-6-methylsulfanylspiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-7-yl]oxy-(4-methoxyphenyl)methoxy]-2-(4-methoxyphenoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione Traditional Name: 2-[(2S,3R,4R,5S,6R)-5-[(S)-[(4aR,6R,7S,8S,8aR)-8-[tert-butyl(diphenyl)silyl]oxy-6-(methylthio)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2,1'-cyclohexane]-7-yl]oxy-(4-methoxyphenyl)methoxy]-4-benzoxy-6-(benzoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-3-yl]isoindoline-1,3-quinone Formula: C72H79NO14SSi MolecularWeight: 1242.54646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3C4C(COC5(O4)CCCCC5)OC(C3OC(C6=CC=C(C=C6)OC)OC7C(OC(C(C7OCC8=CC=CC=C8)N9C(=O)C1=CC=CC=C1C9=O)OC1=CC=C(C=C1)OC)COCC1=CC=CC=C1)SC

Isomeric SMILES

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3[C@H]4[C@@H](COC5(O4)CCCCC5)O[C@@H]([C@H]3O[C@@H](C6=CC=C(C=C6)OC)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7OCC8=CC=CC=C8)N9C(=O)C1=CC=CC=C1C9=O)OC1=CC=C(C=C1)OC)COCC1=CC=CC=C1)SC

InChI

InChI=1S/C72H79NO14SSi/c1-71(2,3)89(54-28-16-9-17-29-54,55-30-18-10-19-31-55)87-64-62-59(47-80-72(86-62)42-22-11-23-43-72)83-70(88-6)65(64)85-68(50-34-36-51(76-4)37-35-50)84-61-58(46-78-44-48-24-12-7-13-25-48)82-69(81-53-40-38-52(77-5)39-41-53)60(63(61)79-45-49-26-14-8-15-27-49)73-66(74)56-32-20-21-33-57(56)67(73)75/h7-10,12-21,24-41,58-65,68-70H,11,22-23,42-47H2,1-6H3/t58-,59-,60-,61-,62-,63-,64+,65+,68+,69-,70-/m1/s1