[(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

C225H360F8O33 — CID 158119495

IUPAC[(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
SMILESC=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](O)[C@H](/C=C/C(F)(F)COc2ccccc2)[C@H]1C/C=C\CCCC(=O)OCCCCCCCC/C=C/CCCCCC.C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)CCc2ccccc2)[C@H]1C/C=C\CCCC(=O)O.C=CCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)OC(C)C.CCC(C)C(CC)C(CC)C(CC)C(CC)CCCCC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H]1C/C=C\CCCC(=O)OC(C)C.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](OC(=O)CCCCC(CC)C(CC)C(CC)C(CC)C(C)CC)C[C@@H]1O
InChIInChI=1S/C60H99F3O7.C49H77F3O8.C49H76F2O6.C34H52O6.C33H56O6/c1-8-14-15-16-17-18-19-20-21-22-23-24-27-32-42-68-58(66)38-29-26-25-28-37-54-55(41-40-49(64)45-69-50-36-33-35-48(43-50)60(61,62)63)57(44-56(54)65)70-59(67)39-31-30-34-47(10-3)52(12-5)53(13-6)51(11-4)46(7)9-2;1-10-34(8)40(12-3)42(14-5)41(13-4)36(11-2)22-19-20-27-48(56)60-46-31-45(59-35(9)53)44(43(46)25-17-15-16-18-26-47(55)58-33(6)7)29-28-38(54)32-57-39-24-21-23-37(30-39)49(50,51)52;1-4-6-8-10-12-13-14-15-16-17-18-19-23-30-38-55-47(53)35-29-22-21-28-34-44-43(36-37-49(50,51)40-56-42-32-26-24-27-33-42)45(52)39-46(44)57-48(54)41(3)31-25-20-11-9-7-5-2;1-3-4-5-6-7-11-16-26(2)34(39)40-32-25-31(36)29(30(32)19-14-8-9-15-20-33(37)38)24-23-28(35)22-21-27-17-12-10-13-18-27;1-5-7-9-10-11-12-17-22-33(37)39-31-25-30(35)28(24-23-27(34)19-15-8-6-2)29(31)20-16-13-14-18-21-32(36)38-26(3)4/h18-19,25,28,33,35-36,40-41,43,46-47,49,51-57,64-65H,8-17,20-24,26-27,29-32,34,37-39,42,44-45H2,1-7H3;15,17,21,23-24,28-30,33-34,36,38,40-46,54H,10-14,16,18-20,22,25-27,31-32H2,1-9H3;13-14,21,24,26-28,32-33,36-37,43-46,52H,3-12,15-20,22-23,25,29-31,34-35,38-40H2,1-2H3;8,10,12-14,17-18,28-32,35-36H,2-7,9,11,15-16,19-25H2,1H3,(H,37,38);5,13,16,23-24,26-31,34-35H,1,6-12,14-15,17-22,25H2,2-4H3/b19-18+,28-25-,41-40+;17-15-,29-28+;14-13+,28-21-,37-36+;14-8-;16-13-,24-23+/t46?,47?,49-,51?,52?,53?,54-,55-,56+,57-;34?,36?,38-,40?,41?,42?,43-,44-,45-,46+;43-,44-,45-,46+;28-,29+,30+,31+,32-;27-,28+,29+,30+,31-/m11100/s1
InChIKeyFRKUNPUCKSJGNH-IMZKKBCWSA-N
MW3745.31 g/mol
LogP56.74
Rot. Bonds145

About [(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

[(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 (PubChem CID 158119495) has the molecular formula C225H360F8O33 and a molecular weight of 3745.31 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID158119495
Molecular FormulaC225H360F8O33
Molecular Weight3745.31 g/mol
Exact Mass3742.64
IUPAC Name[(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
SMILESC=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](O)[C@H](/C=C/C(F)(F)COc2ccccc2)[C@H]1C/C=C\CCCC(=O)OCCCCCCCC/C=C/CCCCCC.C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)CCc2ccccc2)[C@H]1C/C=C\CCCC(=O)O.C=CCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)OC(C)C.CCC(C)C(CC)C(CC)C(CC)C(CC)CCCCC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H]1C/C=C\CCCC(=O)OC(C)C.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](OC(=O)CCCCC(CC)C(CC)C(CC)C(CC)C(C)CC)C[C@@H]1O
InChIInChI=1S/C60H99F3O7.C49H77F3O8.C49H76F2O6.C34H52O6.C33H56O6/c1-8-14-15-16-17-18-19-20-21-22-23-24-27-32-42-68-58(66)38-29-26-25-28-37-54-55(41-40-49(64)45-69-50-36-33-35-48(43-50)60(61,62)63)57(44-56(54)65)70-59(67)39-31-30-34-47(10-3)52(12-5)53(13-6)51(11-4)46(7)9-2;1-10-34(8)40(12-3)42(14-5)41(13-4)36(11-2)22-19-20-27-48(56)60-46-31-45(59-35(9)53)44(43(46)25-17-15-16-18-26-47(55)58-33(6)7)29-28-38(54)32-57-39-24-21-23-37(30-39)49(50,51)52;1-4-6-8-10-12-13-14-15-16-17-18-19-23-30-38-55-47(53)35-29-22-21-28-34-44-43(36-37-49(50,51)40-56-42-32-26-24-27-33-42)45(52)39-46(44)57-48(54)41(3)31-25-20-11-9-7-5-2;1-3-4-5-6-7-11-16-26(2)34(39)40-32-25-31(36)29(30(32)19-14-8-9-15-20-33(37)38)24-23-28(35)22-21-27-17-12-10-13-18-27;1-5-7-9-10-11-12-17-22-33(37)39-31-25-30(35)28(24-23-27(34)19-15-8-6-2)29(31)20-16-13-14-18-21-32(36)38-26(3)4/h18-19,25,28,33,35-36,40-41,43,46-47,49,51-57,64-65H,8-17,20-24,26-27,29-32,34,37-39,42,44-45H2,1-7H3;15,17,21,23-24,28-30,33-34,36,38,40-46,54H,10-14,16,18-20,22,25-27,31-32H2,1-9H3;13-14,21,24,26-28,32-33,36-37,43-46,52H,3-12,15-20,22-23,25,29-31,34-35,38-40H2,1-2H3;8,10,12-14,17-18,28-32,35-36H,2-7,9,11,15-16,19-25H2,1H3,(H,37,38);5,13,16,23-24,26-31,34-35H,1,6-12,14-15,17-22,25H2,2-4H3/b19-18+,28-25-,41-40+;17-15-,29-28+;14-13+,28-21-,37-36+;14-8-;16-13-,24-23+/t46?,47?,49-,51?,52?,53?,54-,55-,56+,57-;34?,36?,38-,40?,41?,42?,43-,44-,45-,46+;43-,44-,45-,46+;28-,29+,30+,31+,32-;27-,28+,29+,30+,31-/m11100/s1
InChIKeyFRKUNPUCKSJGNH-IMZKKBCWSA-N
XLogP56.74
TPSA489.83 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds145
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003745.31
LogP ≤ 556.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze [(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 with MolForge

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Launch Full Analysis

Related Compounds

[(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
[(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
[(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-[(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
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 159850696
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
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-[(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 7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
CID 53394208
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-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
CID 131954630

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](O)[C@H](/C=C/C(F)(F)COc2ccccc2)[C@H]1C/C=C\CCCC(=O)OCCCCCCCC/C=C/CCCCCC.C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)CCc2ccccc2)[C@H]1C/C=C\CCCC(=O)O.C=CCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)OC(C)C.CCC(C)C(CC)C(CC)C(CC)C(CC)CCCCC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H]1C/C=C\CCCC(=O)OC(C)C.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](OC(=O)CCCCC(CC)C(CC)C(CC)C(CC)C(C)CC)C[C@@H]1O.
What is the InChIKey of [(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?
The InChIKey is FRKUNPUCKSJGNH-IMZKKBCWSA-N. The full InChI is InChI=1S/C60H99F3O7.C49H77F3O8.C49H76F2O6.C34H52O6.C33H56O6/c1-8-14-15-16-17-18-19-20-21-22-23-24-27-32-42-68-58(66)38-29-26-25-28-37-54-55(41-40-49(64)45-69-50-36-33-35-48(43-50)60(61,62)63)57(44-56(54)65)70-59(67)39-31-30-34-47(10-3)52(12-5)53(13-6)51(11-4)46(7)9-2;1-10-34(8)40(12-3)42(14-5)41(13-4)36(11-2)22-19-20-27-48(56)60-46-31-45(59-35(9)53)44(43(46)25-17-15-16-18-26-47(55)58-33(6)7)29-28-38(54)32-57-39-24-21-23-37(30-39)49(50,51)52;1-4-6-8-10-12-13-14-15-16-17-18-19-23-30-38-55-47(53)35-29-22-21-28-34-44-43(36-37-49(50,51)40-56-42-32-26-24-27-33-42)45(52)39-46(44)57-48(54)41(3)31-25-20-11-9-7-5-2;1-3-4-5-6-7-11-16-26(2)34(39)40-32-25-31(36)29(30(32)19-14-8-9-15-20-33(37)38)24-23-28(35)22-21-27-17-12-10-13-18-27;1-5-7-9-10-11-12-17-22-33(37)39-31-25-30(35)28(24-23-27(34)19-15-8-6-2)29(31)20-16-13-14-18-21-32(36)38-26(3)4/h18-19,25,28,33,35-36,40-41,43,46-47,49,51-57,64-65H,8-17,20-24,26-27,29-32,34,37-39,42,44-45H2,1-7H3;15,17,21,23-24,28-30,33-34,36,38,40-46,54H,10-14,16,18-20,22,25-27,31-32H2,1-9H3;13-14,21,24,26-28,32-33,36-37,43-46,52H,3-12,15-20,22-23,25,29-31,34-35,38-40H2,1-2H3;8,10,12-14,17-18,28-32,35-36H,2-7,9,11,15-16,19-25H2,1H3,(H,37,38);5,13,16,23-24,26-31,34-35H,1,6-12,14-15,17-22,25H2,2-4H3/b19-18+,28-25-,41-40+;17-15-,29-28+;14-13+,28-21-,37-36+;14-8-;16-13-,24-23+/t46?,47?,49-,51?,52?,53?,54-,55-,56+,57-;34?,36?,38-,40?,41?,42?,43-,44-,45-,46+;43-,44-,45-,46+;28-,29+,30+,31+,32-;27-,28+,29+,30+,31-/m11100/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 3745.31 g/mol, XLogP of 56.74, 145 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 158119495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).