[(2S,3S,4R,5R,6E,9R,11R,12Z,15S,17S,19R)-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-22-methoxy-3,5,9,11,15,17,19-heptamethyl-12-oxidanyl-14,22-bis(oxidanylidene)-4-tri(propan-2-yl)silyloxy-docosa-6,12-dien-2-yl] benzoate

Systemtic Name: [(2S,3S,4R,5R,6E,9R,11R,12Z,15S,17S,19R)-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-22-methoxy-3,5,9,11,15,17,19-heptamethyl-12-oxidanyl-14,22-bis(oxidanylidene)-4-tri(propan-2-yl)silyloxy-docosa-6,12-dien-2-yl] benzoate Openeye Name: [(1S,2S,3R,4R,5E,8R,10R,11Z,14S,16S,18R)-1-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]methyl]-11-hydroxy-21-methoxy-2,4,8,10,14,16,18-heptamethyl-13,21-dioxo-3-triisopropylsilyloxy-henicosa-5,11-dienyl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R,6E,9R,11R,12Z,15S,17S,19R)-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-12-hydroxy-22-methoxy-3,5,9,11,15,17,19-heptamethyl-14,22-dioxo-4-tri(propan-2-yl)silyloxydocosa-6,12-dien-2-yl] ester IUPAC Name: [(2S,3S,4R,5R,6E,9R,11R,12Z,15S,17S,19R)-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-12-hydroxy-22-methoxy-3,5,9,11,15,17,19-heptamethyl-14,22-dioxo-4-tri(propan-2-yl)silyloxydocosa-6,12-dien-2-yl] benzoate Traditional Name: benzoic acid [(1S,2S,3R,4R,5E,8R,10R,11Z,14S,16S,18R)-1-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]methyl]-11-hydroxy-13,21-diketo-21-methoxy-2,4,8,10,14,16,18-heptamethyl-3-triisopropylsilyloxy-heneicosa-5,11-dienyl] ester Formula: C64H112O10Si2 MolecularWeight: 1097.73908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[Si](C(C)C)(C(C)C)OC(C(C)C=CCC(C)CC(C)C(=CC(=O)C(C)CC(C)CC(C)CCC(=O)OC)O)C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O[Si](C)(C)C(C)(C)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CCC(=O)OC)C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)C3=CC=CC=C3)O[Si](C(C)C)(C(C)C)C(C)C)\O

InChI

InChI=1S/C64H112O10Si2/c1-42(2)76(43(3)4,44(5)6)74-60(48(10)28-26-27-45(7)38-49(11)55(65)41-56(66)50(12)39-47(9)37-46(8)31-32-59(67)69-20)51(13)57(70-61(68)53-29-24-23-25-30-53)40-54-33-35-64(19,71-54)58-34-36-63(18,72-58)52(14)73-75(21,22)62(15,16)17/h23-26,28-30,41-52,54,57-58,60,65H,27,31-40H2,1-22H3/b28-26+,55-41-/t45-,46-,47+,48-,49-,50+,51+,52-,54+,57+,58-,60-,63+,64+/m1/s1