[(2S,3S,4R,6S)-6-[(2R,3S,4S,5R,6S)-5-acetyloxy-6-[[(2R,7R,8R,10R,11S,12S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethoxyethyl)-12-methoxy-2,8-dimethyl-13-oxidanyl-15-oxidanylidene-5-(4-phenylbutyl)-1-oxa-5-azacyclopentadec-11-yl]oxy]-4-(dimethylamino)-2-methyl-oxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxy-oxan-3-yl] butanoate

Systemtic Name: [(2S,3S,4R,6S)-6-[(2R,3S,4S,5R,6S)-5-acetyloxy-6-[[(2R,7R,8R,10R,11S,12S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethoxyethyl)-12-methoxy-2,8-dimethyl-13-oxidanyl-15-oxidanylidene-5-(4-phenylbutyl)-1-oxa-5-azacyclopentadec-11-yl]oxy]-4-(dimethylamino)-2-methyl-oxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxy-oxan-3-yl] butanoate Openeye Name: [(2S,3S,4R,6S)-6-[(2R,3S,4S,5R,6S)-5-acetoxy-6-[[(2R,7R,8R,10R,11S,12S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethoxyethyl)-13-hydroxy-12-methoxy-2,8-dimethyl-15-oxo-5-(4-phenylbutyl)-1-oxa-5-azacyclopentadec-11-yl]oxy]-4-(dimethylamino)-2-methyl-tetrahydropyran-3-yl]oxy-2,4-dimethyl-4-propanoyloxy-tetrahydropyran-3-yl] butanoate CAS Name: butanoic acid [(2S,3S,4R,6S)-6-[[(2R,3S,4S,5R,6S)-5-acetyloxy-6-[[(2R,7R,8R,10R,11S,12S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethoxyethyl)-13-hydroxy-12-methoxy-2,8-dimethyl-15-oxo-5-(4-phenylbutyl)-1-oxa-5-azacyclopentadec-11-yl]oxy]-4-(dimethylamino)-2-methyl-3-oxanyl]oxy]-2,4-dimethyl-4-(1-oxopropoxy)-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6S)-6-[(2R,3S,4S,5R,6S)-5-acetyloxy-6-[[(2R,7R,8R,10R,11S,12S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethoxyethyl)-13-hydroxy-12-methoxy-2,8-dimethyl-15-oxo-5-(4-phenylbutyl)-1-oxa-5-azacyclopentadec-11-yl]oxy]-4-(dimethylamino)-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxyoxan-3-yl] butanoate Traditional Name: butyric acid [(2S,3S,4R,6S)-6-[(2R,3S,4S,5R,6S)-5-acetoxy-6-[[(2R,7R,8R,10R,11S,12S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethoxyethyl)-13-hydroxy-15-keto-12-methoxy-2,8-dimethyl-5-(4-phenylbutyl)-1-oxa-5-azacyclopentadec-11-yl]oxy]-4-(dimethylamino)-2-methyl-tetrahydropyran-3-yl]oxy-2,4-dimethyl-4-propionyloxy-tetrahydropyran-3-yl] ester Formula: C60H104N2O17Si MolecularWeight: 1153.55646

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(OC(CC1(C)OC(=O)CC)OC2C(OC(C(C2N(C)C)OC(=O)C)OC3C(CC(C(CN(CCC(OC(=O)CC(C3OC)O)C)CCCCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)C)CC(OC)OC)C)C

Isomeric SMILES

CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)OC(=O)C)O[C@H]3[C@H](C[C@H]([C@H](CN(CC[C@H](OC(=O)C[C@H]([C@@H]3OC)O)C)CCCCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)C)CC(OC)OC)C)C

InChI

InChI=1S/C60H104N2O17Si/c1-19-26-48(66)75-57-41(6)72-51(36-60(57,11)78-47(65)20-2)76-53-40(5)73-58(56(74-42(7)63)52(53)61(12)13)77-54-44(34-50(68-14)69-15)33-38(3)46(79-80(17,18)59(8,9)10)37-62(31-25-24-29-43-27-22-21-23-28-43)32-30-39(4)71-49(67)35-45(64)55(54)70-16/h21-23,27-28,38-41,44-46,50-58,64H,19-20,24-26,29-37H2,1-18H3/t38-,39-,40-,41+,44-,45-,46+,51+,52+,53-,54+,55+,56-,57+,58+,60-/m1/s1