ethyl (2E,4E,7R,8R,9R,10R,13S,14E,17R,19R,20E,23S,24R,25S,26S,29R,30S)-9-[tert-butyl(dimethyl)silyl]oxy-29-[(3,4-dimethoxyphenyl)methoxymethoxy]-13,19-dimethoxy-30-[(2R,3R)-5-methoxy-3-methyl-oxolan-2-yl]-8,10,14,17,24,26-hexamethyl-7-(methylsulfanylmethoxy)-23,25-bis(triethylsilyloxy)hentriaconta-2,4,14,20-tetraenoate

Systemtic Name: ethyl (2E,4E,7R,8R,9R,10R,13S,14E,17R,19R,20E,23S,24R,25S,26S,29R,30S)-9-[tert-butyl(dimethyl)silyl]oxy-29-[(3,4-dimethoxyphenyl)methoxymethoxy]-13,19-dimethoxy-30-[(2R,3R)-5-methoxy-3-methyl-oxolan-2-yl]-8,10,14,17,24,26-hexamethyl-7-(methylsulfanylmethoxy)-23,25-bis(triethylsilyloxy)hentriaconta-2,4,14,20-tetraenoate Openeye Name: ethyl (2E,4E,7R,8R,9R,10R,13S,14E,17R,19R,20E,23S,24R,25S,26S,29R,30S)-9-[tert-butyl(dimethyl)silyl]oxy-29-[(3,4-dimethoxyphenyl)methoxymethoxy]-13,19-dimethoxy-30-[(2R,3R)-5-methoxy-3-methyl-tetrahydrofuran-2-yl]-8,10,14,17,24,26-hexamethyl-7-(methylsulfanylmethoxy)-23,25-bis(triethylsilyloxy)hentriaconta-2,4,14,20-tetraenoate CAS Name: (2E,4E,7R,8R,9R,10R,13S,14E,17R,19R,20E,23S,24R,25S,26S,29R,30S)-9-[tert-butyl(dimethyl)silyl]oxy-29-[(3,4-dimethoxyphenyl)methoxymethoxy]-13,19-dimethoxy-30-[(2R,3R)-5-methoxy-3-methyl-2-oxolanyl]-8,10,14,17,24,26-hexamethyl-7-[(methylthio)methoxy]-23,25-bis(triethylsilyloxy)hentriaconta-2,4,14,20-tetraenoic acid ethyl ester IUPAC Name: ethyl (2E,4E,7R,8R,9R,10R,13S,14E,17R,19R,20E,23S,24R,25S,26S,29R,30S)-9-[tert-butyl(dimethyl)silyl]oxy-29-[(3,4-dimethoxyphenyl)methoxymethoxy]-13,19-dimethoxy-30-[(2R,3R)-5-methoxy-3-methyloxolan-2-yl]-8,10,14,17,24,26-hexamethyl-7-(methylsulfanylmethoxy)-23,25-bis(triethylsilyloxy)hentriaconta-2,4,14,20-tetraenoate Traditional Name: (2E,4E,7R,8R,9R,10R,13S,14E,17R,19R,20E,23S,24R,25S,26S,29R,30S)-9-[tert-butyl(dimethyl)silyl]oxy-13,19-dimethoxy-30-[(2R,3R)-5-methoxy-3-methyl-tetrahydrofuran-2-yl]-8,10,14,17,24,26-hexamethyl-7-[(methylthio)methoxy]-23,25-bis(triethylsilyloxy)-29-(veratryloxymethoxy)hentriaconta-2,4,14,20-tetraenoic acid ethyl ester Formula: C77H142O14SSi3 MolecularWeight: 1408.26448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC=CCC(C(C)C(C(C)CCC(C(=CCC(C)CC(C=CCC(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)O[Si](CC)(CC)CC)OC)C)OC)O[Si](C)(C)C(C)(C)C)OCSC

Isomeric SMILES

CCOC(=O)/C=C/C=C/C[C@H]([C@@H](C)[C@@H]([C@H](C)CC[C@@H](/C(=C/C[C@@H](C)C[C@H](/C=C/C[C@@H]([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)O[Si](CC)(CC)CC)OC)/C)OC)O[Si](C)(C)C(C)(C)C)OCSC

InChI

InChI=1S/C77H142O14SSi3/c1-27-85-72(78)41-36-34-35-39-67(87-55-92-24)62(14)75(90-93(25,26)77(16,17)18)58(10)44-47-66(80-20)57(9)43-42-56(8)50-65(79-19)38-37-40-69(89-94(28-2,29-3)30-4)63(15)76(91-95(31-5,32-6)33-7)59(11)45-48-68(61(13)74-60(12)51-73(83-23)88-74)86-54-84-53-64-46-49-70(81-21)71(52-64)82-22/h34-38,41,43,46,49,52,56,58-63,65-69,73-76H,27-33,39-40,42,44-45,47-48,50-51,53-55H2,1-26H3/b35-34+,38-37+,41-36+,57-43+/t56-,58-,59+,60-,61+,62-,63-,65+,66+,67-,68-,69+,73?,74-,75-,76+/m1/s1