[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate

C297H478F10O46 — CID 159739945

IUPAC[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate
SMILESCCC(=O)O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H]1C/C=C\CCCC(=O)OCCCCC(CC)C(CC)C(CC)C(CC)C(C)CC.CCC(C)C(CC)C(CC)C(CC)C(CC)CCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1OC(C)=O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](OC(C)=O)C[C@@H]1OC(C)=O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](OC(=O)CC)C[C@@H]1O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(C(F)(F)F)c2)OC(C)=O)[C@H](O)C[C@@H]1OC(C)=O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1OC(C)=O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCCCC(CC)C(CC)C(CC)C(CC)C(C)CC)[C@@H](O)C[C@H]1OC(C)=O
InChIInChI=1S/C46H73F3O7.C44H70F2O6.C43H63F3O8.C42H62F2O7.C42H76O6.C41H66O6.C39H68O6/c1-8-32(7)37(10-3)39(12-5)38(11-4)33(9-2)21-18-19-28-54-45(53)25-17-15-14-16-24-41-40(42(51)30-43(41)56-44(52)13-6)27-26-35(50)31-55-36-23-20-22-34(29-36)46(47,48)49;1-8-32(6)36(10-3)38(12-5)37(11-4)34(9-2)22-20-21-29-50-43(49)26-19-14-13-18-25-40-39(41(48)30-42(40)52-33(7)47)27-28-44(45,46)31-51-35-23-16-15-17-24-35;1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-51-42(50)26-20-17-16-19-25-39-38(40(49)31-41(39)54-34(3)48)28-27-37(53-33(2)47)32-52-36-24-22-23-35(30-36)43(44,45)46;1-4-5-6-7-8-9-10-11-12-13-14-15-18-24-31-48-41(47)28-23-17-16-22-27-37-38(40(51-35(3)46)32-39(37)50-34(2)45)29-30-42(43,44)33-49-36-25-20-19-21-26-36;1-9-15-18-24-34(44)27-28-39-38(40(45)30-41(39)48-32(8)43)25-19-16-17-20-26-42(46)47-29-22-21-23-33(11-3)36(13-5)37(14-6)35(12-4)31(7)10-2;1-3-4-5-6-7-8-9-10-11-12-13-14-17-23-32-46-41(45)27-22-16-15-21-26-38-37(39(44)33-40(38)47-34(2)42)31-30-36(43)29-28-35-24-19-18-20-25-35;1-4-7-9-10-11-12-13-14-15-16-17-18-21-25-31-44-39(43)28-24-20-19-23-27-34-35(30-29-33(40)26-22-8-5-2)37(32-36(34)41)45-38(42)6-3/h14,16,20,22-23,26-27,29,32-33,35,37-43,50-51H,8-13,15,17-19,21,24-25,28,30-31H2,1-7H3;13,15-18,23-24,27-28,32,34,36-42,48H,8-12,14,19-22,25-26,29-31H2,1-7H3;9-10,16,19,22-24,27-28,30,37-41,49H,4-8,11-15,17-18,20-21,25-26,29,31-32H2,1-3H3;9-10,16,19-22,25-26,29-30,37-40H,4-8,11-15,17-18,23-24,27-28,31-33H2,1-3H3;16,19,27-28,31,33-41,44-45H,9-15,17-18,20-26,29-30H2,1-8H3;8-9,15,18-21,24-25,36-40,43-44H,3-7,10-14,16-17,22-23,26-33H2,1-2H3;12-13,19,23,29-30,33-37,40-41H,4-11,14-18,20-22,24-28,31-32H2,1-3H3/b16-14-,27-26+;18-13-,28-27+;10-9+,19-16-,28-27+;10-9+,22-16-,30-29+;19-16-,28-27+;9-8+,21-15-;13-12+,23-19-,30-29+/t32?,33?,35-,37?,38?,39?,40-,41-,42-,43+;32?,34?,36?,37?,38?,39-,40-,41-,42+;37-,38-,39-,40-,41+;37-,38-,39+,40-;31?,33?,34-,35?,36?,37?,38+,39+,40-,41+;36-,37+,38+,39+,40-;33-,34+,35+,36-,37+/m1111000/s1
InChIKeyNCIBURIOAFKZIX-HAIKSIKSSA-N
MW4975.02 g/mol
LogP73.28
Rot. Bonds189

About [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate

[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate (PubChem CID 159739945) has the molecular formula C297H478F10O46 and a molecular weight of 4975.02 g/mol. Its IUPAC name is [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate.

Molecular Properties

Compound Name[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate
PubChem CID159739945
Molecular FormulaC297H478F10O46
Molecular Weight4975.02 g/mol
Exact Mass4971.49
IUPAC Name[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate
SMILESCCC(=O)O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H]1C/C=C\CCCC(=O)OCCCCC(CC)C(CC)C(CC)C(CC)C(C)CC.CCC(C)C(CC)C(CC)C(CC)C(CC)CCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1OC(C)=O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](OC(C)=O)C[C@@H]1OC(C)=O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](OC(=O)CC)C[C@@H]1O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(C(F)(F)F)c2)OC(C)=O)[C@H](O)C[C@@H]1OC(C)=O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1OC(C)=O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCCCC(CC)C(CC)C(CC)C(CC)C(C)CC)[C@@H](O)C[C@H]1OC(C)=O
InChIInChI=1S/C46H73F3O7.C44H70F2O6.C43H63F3O8.C42H62F2O7.C42H76O6.C41H66O6.C39H68O6/c1-8-32(7)37(10-3)39(12-5)38(11-4)33(9-2)21-18-19-28-54-45(53)25-17-15-14-16-24-41-40(42(51)30-43(41)56-44(52)13-6)27-26-35(50)31-55-36-23-20-22-34(29-36)46(47,48)49;1-8-32(6)36(10-3)38(12-5)37(11-4)34(9-2)22-20-21-29-50-43(49)26-19-14-13-18-25-40-39(41(48)30-42(40)52-33(7)47)27-28-44(45,46)31-51-35-23-16-15-17-24-35;1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-51-42(50)26-20-17-16-19-25-39-38(40(49)31-41(39)54-34(3)48)28-27-37(53-33(2)47)32-52-36-24-22-23-35(30-36)43(44,45)46;1-4-5-6-7-8-9-10-11-12-13-14-15-18-24-31-48-41(47)28-23-17-16-22-27-37-38(40(51-35(3)46)32-39(37)50-34(2)45)29-30-42(43,44)33-49-36-25-20-19-21-26-36;1-9-15-18-24-34(44)27-28-39-38(40(45)30-41(39)48-32(8)43)25-19-16-17-20-26-42(46)47-29-22-21-23-33(11-3)36(13-5)37(14-6)35(12-4)31(7)10-2;1-3-4-5-6-7-8-9-10-11-12-13-14-17-23-32-46-41(45)27-22-16-15-21-26-38-37(39(44)33-40(38)47-34(2)42)31-30-36(43)29-28-35-24-19-18-20-25-35;1-4-7-9-10-11-12-13-14-15-16-17-18-21-25-31-44-39(43)28-24-20-19-23-27-34-35(30-29-33(40)26-22-8-5-2)37(32-36(34)41)45-38(42)6-3/h14,16,20,22-23,26-27,29,32-33,35,37-43,50-51H,8-13,15,17-19,21,24-25,28,30-31H2,1-7H3;13,15-18,23-24,27-28,32,34,36-42,48H,8-12,14,19-22,25-26,29-31H2,1-7H3;9-10,16,19,22-24,27-28,30,37-41,49H,4-8,11-15,17-18,20-21,25-26,29,31-32H2,1-3H3;9-10,16,19-22,25-26,29-30,37-40H,4-8,11-15,17-18,23-24,27-28,31-33H2,1-3H3;16,19,27-28,31,33-41,44-45H,9-15,17-18,20-26,29-30H2,1-8H3;8-9,15,18-21,24-25,36-40,43-44H,3-7,10-14,16-17,22-23,26-33H2,1-2H3;12-13,19,23,29-30,33-37,40-41H,4-11,14-18,20-22,24-28,31-32H2,1-3H3/b16-14-,27-26+;18-13-,28-27+;10-9+,19-16-,28-27+;10-9+,22-16-,30-29+;19-16-,28-27+;9-8+,21-15-;13-12+,23-19-,30-29+/t32?,33?,35-,37?,38?,39?,40-,41-,42-,43+;32?,34?,36?,37?,38?,39-,40-,41-,42+;37-,38-,39-,40-,41+;37-,38-,39+,40-;31?,33?,34-,35?,36?,37?,38+,39+,40-,41+;36-,37+,38+,39+,40-;33-,34+,35+,36-,37+/m1111000/s1
InChIKeyNCIBURIOAFKZIX-HAIKSIKSSA-N
XLogP73.28
TPSA660.02 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds189
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004975.02
LogP ≤ 573.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate with MolForge

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Related Compounds

[(1S,2R,3R,4R)-4-acetyloxy-3-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 6,7,8,9-tetraethyl-10-methyldodecanoate;[(1S,2R,3R,4R)-3-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-2-[(Z)-7-[(E)-hexadec-9-enoxy]-7-oxohept-2-enyl]-4-hydroxycyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-3-[(Z)-7-[(E)-hexadec-9-enoxy]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl] 6,7,8,9-tetraethyl-10-methyldodecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] dec-9-enoate;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid
CID 158119495
[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-2-[(3S)-3-acetyloxydecyl]-3,5-dihydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-2-[(3S)-3-acetyloxydecyl]-3,5-dihydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 159039247
[(1R,2R,3R,4S)-4-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 3,4,5,6,7-pentaethyldecanoate;[(1S,2R,3R,4R)-4-acetyloxy-3-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-2-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 3,4,5,6,7-pentaethylundecanoate;[(2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 3,4,5,6,7-pentaethyldecanoate
CID 159901371
[(1R,2R,3R,4S)-4-acetyloxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-acetyloxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-3-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxycyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate
CID 158882564
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxycyclopentyl]hept-5-enoate
CID 159280659
4-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-oct-2-enylcyclopentane-1,3-diol
CID 123508155
6-(dihydroxyamino)oxyhexyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
CID 70669015
propan-2-yl (Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
CID 124869331
propan-2-yl 7-[(2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
CID 91424654
propan-2-yl (Z)-7-[(1R,2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
CID 59938269
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
CID 51371333
propan-2-yl 7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
CID 53394208

Frequently Asked Questions

What is the IUPAC name of [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate?
The IUPAC name of [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate (CID 159739945) is [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate.
What is the SMILES notation for [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate?
The canonical SMILES for [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate is CCC(=O)O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H]1C/C=C\CCCC(=O)OCCCCC(CC)C(CC)C(CC)C(CC)C(C)CC.CCC(C)C(CC)C(CC)C(CC)C(CC)CCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1OC(C)=O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](OC(C)=O)C[C@@H]1OC(C)=O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](OC(=O)CC)C[C@@H]1O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(C(F)(F)F)c2)OC(C)=O)[C@H](O)C[C@@H]1OC(C)=O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1OC(C)=O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCCCC(CC)C(CC)C(CC)C(CC)C(C)CC)[C@@H](O)C[C@H]1OC(C)=O.
What is the InChIKey of [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate?
The InChIKey is NCIBURIOAFKZIX-HAIKSIKSSA-N. The full InChI is InChI=1S/C46H73F3O7.C44H70F2O6.C43H63F3O8.C42H62F2O7.C42H76O6.C41H66O6.C39H68O6/c1-8-32(7)37(10-3)39(12-5)38(11-4)33(9-2)21-18-19-28-54-45(53)25-17-15-14-16-24-41-40(42(51)30-43(41)56-44(52)13-6)27-26-35(50)31-55-36-23-20-22-34(29-36)46(47,48)49;1-8-32(6)36(10-3)38(12-5)37(11-4)34(9-2)22-20-21-29-50-43(49)26-19-14-13-18-25-40-39(41(48)30-42(40)52-33(7)47)27-28-44(45,46)31-51-35-23-16-15-17-24-35;1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-51-42(50)26-20-17-16-19-25-39-38(40(49)31-41(39)54-34(3)48)28-27-37(53-33(2)47)32-52-36-24-22-23-35(30-36)43(44,45)46;1-4-5-6-7-8-9-10-11-12-13-14-15-18-24-31-48-41(47)28-23-17-16-22-27-37-38(40(51-35(3)46)32-39(37)50-34(2)45)29-30-42(43,44)33-49-36-25-20-19-21-26-36;1-9-15-18-24-34(44)27-28-39-38(40(45)30-41(39)48-32(8)43)25-19-16-17-20-26-42(46)47-29-22-21-23-33(11-3)36(13-5)37(14-6)35(12-4)31(7)10-2;1-3-4-5-6-7-8-9-10-11-12-13-14-17-23-32-46-41(45)27-22-16-15-21-26-38-37(39(44)33-40(38)47-34(2)42)31-30-36(43)29-28-35-24-19-18-20-25-35;1-4-7-9-10-11-12-13-14-15-16-17-18-21-25-31-44-39(43)28-24-20-19-23-27-34-35(30-29-33(40)26-22-8-5-2)37(32-36(34)41)45-38(42)6-3/h14,16,20,22-23,26-27,29,32-33,35,37-43,50-51H,8-13,15,17-19,21,24-25,28,30-31H2,1-7H3;13,15-18,23-24,27-28,32,34,36-42,48H,8-12,14,19-22,25-26,29-31H2,1-7H3;9-10,16,19,22-24,27-28,30,37-41,49H,4-8,11-15,17-18,20-21,25-26,29,31-32H2,1-3H3;9-10,16,19-22,25-26,29-30,37-40H,4-8,11-15,17-18,23-24,27-28,31-33H2,1-3H3;16,19,27-28,31,33-41,44-45H,9-15,17-18,20-26,29-30H2,1-8H3;8-9,15,18-21,24-25,36-40,43-44H,3-7,10-14,16-17,22-23,26-33H2,1-2H3;12-13,19,23,29-30,33-37,40-41H,4-11,14-18,20-22,24-28,31-32H2,1-3H3/b16-14-,27-26+;18-13-,28-27+;10-9+,19-16-,28-27+;10-9+,22-16-,30-29+;19-16-,28-27+;9-8+,21-15-;13-12+,23-19-,30-29+/t32?,33?,35-,37?,38?,39?,40-,41-,42-,43+;32?,34?,36?,37?,38?,39-,40-,41-,42+;37-,38-,39-,40-,41+;37-,38-,39+,40-;31?,33?,34-,35?,36?,37?,38+,39+,40-,41+;36-,37+,38+,39+,40-;33-,34+,35+,36-,37+/m1111000/s1.
What are the key properties of [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate?
[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate has a molecular weight of 4975.02 g/mol, XLogP of 73.28, 189 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3R)-3-acetyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoate;[(E)-hexadec-9-enyl] (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-propanoyloxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-propanoyloxycyclopentyl]hept-5-enoate is sourced from PubChem (CID 159739945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).