(E)-N-[(3aR,4S,5S,6S,7S,7aS)-4,6,7-tris(oxidanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-3-[4-[(2S,3S,4S,5R)-5-[(E)-4-(2-chloranyl-4-fluoranyl-phenoxy)but-2-en-2-yl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-phenyl]-2-methyl-prop-2-enamide

Systemtic Name: (E)-N-[(3aR,4S,5S,6S,7S,7aS)-4,6,7-tris(oxidanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-3-[4-[(2S,3S,4S,5R)-5-[(E)-4-(2-chloranyl-4-fluoranyl-phenoxy)but-2-en-2-yl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-phenyl]-2-methyl-prop-2-enamide Openeye Name: (E)-N-[(3aR,4S,5S,6S,7S,7aS)-4,6,7-trihydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-3-[4-[(2S,3S,4S,5R)-5-[(E)-3-(2-chloro-4-fluoro-phenoxy)-1-methyl-prop-1-enyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-prop-2-enamide CAS Name: (E)-N-[(3aR,4S,5S,6S,7S,7aS)-4,6,7-trihydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-3-[4-[[(2S,3S,4S,5R)-5-[(E)-4-(2-chloro-4-fluorophenoxy)but-2-en-2-yl]-3,4-dihydroxy-2-oxolanyl]oxy]-3-hydroxyphenyl]-2-methyl-2-propenamide IUPAC Name: (E)-N-[(3aR,4S,5S,6S,7S,7aS)-4,6,7-trihydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-3-[4-[(2S,3S,4S,5R)-5-[(E)-4-(2-chloro-4-fluorophenoxy)but-2-en-2-yl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide Traditional Name: (E)-N-[(3aR,4S,5S,6S,7S,7aS)-4,6,7-trihydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-3-[4-[(2S,3S,4S,5R)-5-[(E)-3-(2-chloro-4-fluoro-phenoxy)-1-methyl-prop-1-enyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-acrylamide Formula: C33H39ClFNO10 MolecularWeight: 664.114863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1)F)Cl)C2C(C(C(O2)OC3=C(C=C(C=C3)C=C(C)C(=O)NC4C(C5CCCC5C(C4O)O)O)O)O)O

Isomeric SMILES

C/C(=C\COC1=C(C=C(C=C1)F)Cl)/[C@@H]2[C@H]([C@@H]([C@@H](O2)OC3=C(C=C(C=C3)/C=C(\C)/C(=O)N[C@H]4[C@H]([C@@H]5CCC[C@@H]5[C@@H]([C@H]4O)O)O)O)O)O

InChI

InChI=1S/C33H39ClFNO10/c1-15(10-11-44-23-9-7-18(35)14-21(23)34)31-29(41)30(42)33(46-31)45-24-8-6-17(13-22(24)37)12-16(2)32(43)36-25-26(38)19-4-3-5-20(19)27(39)28(25)40/h6-10,12-14,19-20,25-31,33,37-42H,3-5,11H2,1-2H3,(H,36,43)/b15-10+,16-12+/t19-,20+,25+,26+,27+,28+,29+,30+,31-,33-/m1/s1