[(2R,3R,4S,5S,6R)-2-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromanyl-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxy-nona-2,4,8-trienyl]-2,4-dimethoxy-oxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-6-[(E)-3-[4-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-4-methylidene-6-(2-oxidanylideneethyl)oxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]prop-2-enyl]-3,5-dimethyl-oxan-4-yl] 2-diethoxyphosphorylethanoate

Systemtic Name: [(2R,3R,4S,5S,6R)-2-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromanyl-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxy-nona-2,4,8-trienyl]-2,4-dimethoxy-oxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-6-[(E)-3-[4-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-4-methylidene-6-(2-oxidanylideneethyl)oxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]prop-2-enyl]-3,5-dimethyl-oxan-4-yl] 2-diethoxyphosphorylethanoate Openeye Name: [(2R,3R,4S,5S,6R)-2-[(E)-2-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-6-methoxy-3-methyl-1-triisopropylsilyloxy-nona-2,4,8-trienyl]-2,4-dimethoxy-tetrahydropyran-2-yl]methyl]oxazol-4-yl]-1-methyl-vinyl]-6-[(E)-3-[4-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-4-methylene-6-(2-oxoethyl)tetrahydropyran-2-yl]methyl]tetrahydropyran-2-yl]oxazol-2-yl]allyl]-3,5-dimethyl-tetrahydropyran-4-yl] 2-diethoxyphosphorylacetate CAS Name: 2-diethoxyphosphorylacetic acid [(2R,3R,4S,5S,6R)-2-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4,8-trienyl]-2,4-dimethoxy-2-oxanyl]methyl]-4-oxazolyl]prop-1-en-2-yl]-6-[(E)-3-[4-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-4-methylene-6-(2-oxoethyl)-2-oxanyl]methyl]-2-oxanyl]-2-oxazolyl]prop-2-enyl]-3,5-dimethyl-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-2-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4,8-trienyl]-2,4-dimethoxyoxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-6-[(E)-3-[4-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-4-methylidene-6-(2-oxoethyl)oxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]prop-2-enyl]-3,5-dimethyloxan-4-yl] 2-diethoxyphosphorylacetate Traditional Name: 2-diethoxyphosphorylacetic acid [(2R,3R,4S,5S,6R)-2-[(E)-2-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-6-methoxy-3-methyl-1-triisopropylsilyloxy-nona-2,4,8-trienyl]-2,4-dimethoxy-tetrahydropyran-2-yl]methyl]oxazol-4-yl]-1-methyl-vinyl]-6-[(E)-3-[4-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-(2-ketoethyl)-4-methylene-tetrahydropyran-2-yl]methyl]tetrahydropyran-2-yl]oxazol-2-yl]allyl]-3,5-dimethyl-tetrahydropyran-4-yl] ester Formula: C73H118BrN2O17PSi2 MolecularWeight: 1462.769981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)OC1C(C(OC(C1C)C(=CC2=COC(=N2)CC3(CC(CC(O3)C(C=C(C)C=CC(CC=CBr)OC)O[Si](C(C)C)(C(C)C)C(C)C)OC)OC)C)CC=CC4=NC(=CO4)C5CC(CC(O5)CC6CC(=C)CC(O6)CC=O)O[Si](C)(C)C(C)(C)C)C)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1C)/C(=C/C2=COC(=N2)C[C@@]3(C[C@@H](C[C@@H](O3)[C@@H](/C=C(\C)/C=C/[C@@H](C/C=C/Br)OC)O[Si](C(C)C)(C(C)C)C(C)C)OC)OC)/C)C/C=C/C4=NC(=CO4)[C@H]5C[C@H](C[C@H](O5)C[C@H]6CC(=C)C[C@@H](O6)CC=O)O[Si](C)(C)C(C)(C)C)C)OCC

InChI

InChI=1S/C73H118BrN2O17PSi2/c1-22-85-94(79,86-23-2)46-69(78)90-71-53(12)63(27-24-28-67-76-62(45-84-67)64-40-60(92-95(20,21)72(14,15)16)39-59(88-64)38-58-35-51(10)34-57(87-58)31-33-77)89-70(54(71)13)52(11)37-55-44-83-68(75-55)43-73(82-19)42-61(81-18)41-65(91-73)66(93-96(47(3)4,48(5)6)49(7)8)36-50(9)29-30-56(80-17)26-25-32-74/h24-25,28-30,32-33,36-37,44-45,47-49,53-54,56-61,63-66,70-71H,10,22-23,26-27,31,34-35,38-43,46H2,1-9,11-21H3/b28-24+,30-29+,32-25+,50-36+,52-37+/t53-,54-,56+,57-,58+,59+,60-,61+,63+,64+,65+,66+,70-,71-,73-/m0/s1