[(3R,4R,5R,6R,9S,10E,13R,15R,16E,19S,20R,21S,22S,25R,26S)-5-[tert-butyl(dimethyl)silyl]oxy-25-[(3,4-dimethoxyphenyl)methoxymethoxy]-9,15-dimethoxy-26-[(2R,3R)-5-methoxy-3-methyl-oxolan-2-yl]-4,6,10,13,20,22-hexamethyl-3-(methylsulfanylmethoxy)-19,21-bis(triethylsilyloxy)heptacosa-10,16-dienyl] 2,2-dimethylpropanoate

Systemtic Name: [(3R,4R,5R,6R,9S,10E,13R,15R,16E,19S,20R,21S,22S,25R,26S)-5-[tert-butyl(dimethyl)silyl]oxy-25-[(3,4-dimethoxyphenyl)methoxymethoxy]-9,15-dimethoxy-26-[(2R,3R)-5-methoxy-3-methyl-oxolan-2-yl]-4,6,10,13,20,22-hexamethyl-3-(methylsulfanylmethoxy)-19,21-bis(triethylsilyloxy)heptacosa-10,16-dienyl] 2,2-dimethylpropanoate Openeye Name: [(3R,4R,5R,6R,9S,10E,13R,15R,16E,19S,20R,21S,22S,25R,26S)-5-[tert-butyl(dimethyl)silyl]oxy-25-[(3,4-dimethoxyphenyl)methoxymethoxy]-9,15-dimethoxy-26-[(2R,3R)-5-methoxy-3-methyl-tetrahydrofuran-2-yl]-4,6,10,13,20,22-hexamethyl-3-(methylsulfanylmethoxy)-19,21-bis(triethylsilyloxy)heptacosa-10,16-dienyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(3R,4R,5R,6R,9S,10E,13R,15R,16E,19S,20R,21S,22S,25R,26S)-5-[tert-butyl(dimethyl)silyl]oxy-25-[(3,4-dimethoxyphenyl)methoxymethoxy]-9,15-dimethoxy-26-[(2R,3R)-5-methoxy-3-methyl-2-oxolanyl]-4,6,10,13,20,22-hexamethyl-3-[(methylthio)methoxy]-19,21-bis(triethylsilyloxy)heptacosa-10,16-dienyl] ester IUPAC Name: [(3R,4R,5R,6R,9S,10E,13R,15R,16E,19S,20R,21S,22S,25R,26S)-5-[tert-butyl(dimethyl)silyl]oxy-25-[(3,4-dimethoxyphenyl)methoxymethoxy]-9,15-dimethoxy-26-[(2R,3R)-5-methoxy-3-methyloxolan-2-yl]-4,6,10,13,20,22-hexamethyl-3-(methylsulfanylmethoxy)-19,21-bis(triethylsilyloxy)heptacosa-10,16-dienyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3R,4R,5R,6R,9S,10E,13R,15R,16E,19S,20R,21S,22S,25R,26S)-5-[tert-butyl(dimethyl)silyl]oxy-9,15-dimethoxy-26-[(2R,3R)-5-methoxy-3-methyl-tetrahydrofuran-2-yl]-4,6,10,13,20,22-hexamethyl-3-[(methylthio)methoxy]-19,21-bis(triethylsilyloxy)-25-(veratryloxymethoxy)heptacosa-10,16-dienyl] ester Formula: C76H144O14SSi3 MolecularWeight: 1398.26966

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Descriptors Computed from Structure

Canonical SMILES:

CC[Si](CC)(CC)OC(CC=CC(CC(C)CC=C(C)C(CCC(C)C(C(C)C(CCOC(=O)C(C)(C)C)OCSC)O[Si](C)(C)C(C)(C)C)OC)OC)C(C)C(C(C)CCC(C(C)C1C(CC(O1)OC)C)OCOCC2=CC(=C(C=C2)OC)OC)O[Si](CC)(CC)CC

Isomeric SMILES

CC[Si](CC)(CC)O[C@@H](C/C=C/[C@@H](C[C@H](C)C/C=C(\C)/[C@H](CC[C@@H](C)[C@H]([C@H](C)[C@@H](CCOC(=O)C(C)(C)C)OCSC)O[Si](C)(C)C(C)(C)C)OC)OC)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@H]1[C@@H](CC(O1)OC)C)OCOCC2=CC(=C(C=C2)OC)OC)O[Si](CC)(CC)CC

InChI

InChI=1S/C76H144O14SSi3/c1-29-93(30-2,31-3)88-67(61(14)73(90-94(32-4,33-5)34-6)57(10)41-44-65(59(12)71-58(11)49-70(82-25)87-71)85-52-83-51-62-42-45-68(80-23)69(50-62)81-24)37-35-36-63(78-21)48-54(7)38-39-55(8)64(79-22)43-40-56(9)72(89-92(27,28)76(18,19)20)60(13)66(86-53-91-26)46-47-84-74(77)75(15,16)17/h35-36,39,42,45,50,54,56-61,63-67,70-73H,29-34,37-38,40-41,43-44,46-49,51-53H2,1-28H3/b36-35+,55-39+/t54-,56-,57+,58-,59+,60-,61-,63+,64+,65-,66-,67+,70?,71-,72-,73+/m1/s1