[(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

C258H432F4O37 — CID 159039247

IUPAC[(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
SMILESCCC(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.CCC(C)C(CC)C(CC)C(CC)C(CC)CCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](CCc2ccccc2)OC)[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](CC[C@H](CCCCCCC)OC(C)=O)[C@H](O)C[C@@H]1O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](CCc2ccccc2)OC)[C@H](OC(C)=O)C[C@@H]1O.CCCCCCC[C@@H](CC[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]1O)OC(C)=O
InChIInChI=1S/C46H78O6.C44H70F2O6.C44H82O6.C42H62F2O7.C42H68O6.C40H72O6/c1-9-34(6)39(11-3)41(13-5)40(12-4)37(10-2)25-21-22-32-51-46(49)27-20-15-14-19-26-43-42(44(48)33-45(43)52-35(7)47)31-30-38(50-8)29-28-36-23-17-16-18-24-36;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;1-9-15-16-17-20-26-36(50-34(8)45)29-30-41-40(42(46)32-43(41)47)27-21-18-19-22-28-44(48)49-31-24-23-25-35(11-3)38(13-5)39(14-6)37(12-4)33(7)10-2;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;1-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-47-42(45)28-23-17-16-22-27-38-39(41(34-40(38)44)48-35(2)43)32-31-37(46-3)30-29-36-25-20-19-21-26-36;1-4-6-8-10-11-12-13-14-15-16-17-18-22-26-32-45-40(44)29-25-21-20-24-28-36-37(39(43)33-38(36)42)31-30-35(46-34(3)41)27-23-19-9-7-5-2/h14,16-19,23-24,34,37-45,48H,9-13,15,20-22,25-33H2,1-8H3;13,15-18,23-24,27-28,32,34,36-42,48H,8-12,14,19-22,25-26,29-31H2,1-7H3;18,21,33,35-43,46-47H,9-17,19-20,22-32H2,1-8H3;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;9-10,16,19-22,25-26,37-41,44H,4-8,11-15,17-18,23-24,27-34H2,1-3H3;12-13,20,24,35-39,42-43H,4-11,14-19,21-23,25-33H2,1-3H3/b19-14-;18-13-,28-27+;21-18-;10-9+,22-16-,30-29+;10-9+,22-16-;13-12+,24-20-/t34?,37?,38-,39?,40?,41?,42+,43+,44+,45-;32?,34?,36?,37?,38?,39-,40-,41-,42+;33?,35?,36-,37?,38?,39?,40+,41+,42-,43+;37-,38-,39+,40-;37-,38+,39+,40-,41+;35-,36+,37+,38-,39+/m010100/s1
InChIKeyJVVQSGHAMWZVKL-LQIAXKOKSA-N
MW4202.25 g/mol
LogP65.16
Rot. Bonds169

About [(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

[(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 (PubChem CID 159039247) has the molecular formula C258H432F4O37 and a molecular weight of 4202.25 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID159039247
Molecular FormulaC258H432F4O37
Molecular Weight4202.25 g/mol
Exact Mass4199.19
IUPAC Name[(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
SMILESCCC(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.CCC(C)C(CC)C(CC)C(CC)C(CC)CCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](CCc2ccccc2)OC)[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](CC[C@H](CCCCCCC)OC(C)=O)[C@H](O)C[C@@H]1O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](CCc2ccccc2)OC)[C@H](OC(C)=O)C[C@@H]1O.CCCCCCC[C@@H](CC[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]1O)OC(C)=O
InChIInChI=1S/C46H78O6.C44H70F2O6.C44H82O6.C42H62F2O7.C42H68O6.C40H72O6/c1-9-34(6)39(11-3)41(13-5)40(12-4)37(10-2)25-21-22-32-51-46(49)27-20-15-14-19-26-43-42(44(48)33-45(43)52-35(7)47)31-30-38(50-8)29-28-36-23-17-16-18-24-36;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;1-9-15-16-17-20-26-36(50-34(8)45)29-30-41-40(42(46)32-43(41)47)27-21-18-19-22-28-44(48)49-31-24-23-25-35(11-3)38(13-5)39(14-6)37(12-4)33(7)10-2;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;1-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-47-42(45)28-23-17-16-22-27-38-39(41(34-40(38)44)48-35(2)43)32-31-37(46-3)30-29-36-25-20-19-21-26-36;1-4-6-8-10-11-12-13-14-15-16-17-18-22-26-32-45-40(44)29-25-21-20-24-28-36-37(39(43)33-38(36)42)31-30-35(46-34(3)41)27-23-19-9-7-5-2/h14,16-19,23-24,34,37-45,48H,9-13,15,20-22,25-33H2,1-8H3;13,15-18,23-24,27-28,32,34,36-42,48H,8-12,14,19-22,25-26,29-31H2,1-7H3;18,21,33,35-43,46-47H,9-17,19-20,22-32H2,1-8H3;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;9-10,16,19-22,25-26,37-41,44H,4-8,11-15,17-18,23-24,27-34H2,1-3H3;12-13,20,24,35-39,42-43H,4-11,14-19,21-23,25-33H2,1-3H3/b19-14-;18-13-,28-27+;21-18-;10-9+,22-16-,30-29+;10-9+,22-16-;13-12+,24-20-/t34?,37?,38-,39?,40?,41?,42+,43+,44+,45-;32?,34?,36?,37?,38?,39-,40-,41-,42+;33?,35?,36-,37?,38?,39?,40+,41+,42-,43+;37-,38-,39+,40-;37-,38+,39+,40-,41+;35-,36+,37+,38-,39+/m010100/s1
InChIKeyJVVQSGHAMWZVKL-LQIAXKOKSA-N
XLogP65.16
TPSA520.43 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds169
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004202.25
LogP ≤ 565.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze [(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 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
[(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
[(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
[(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
[(4Z,7Z,10Z,13Z,16Z,19Z)-henicosa-4,7,10,13,16,19-hexaenyl] (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(3S)-3-acetyloxydecyl]cyclopentyl]hept-5-enoate
CID 134215474
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 158452208
propan-2-yl (E)-7-[(1S,2S,3S,5R)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 124935051
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,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 139024558
propyl (E)-7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate
CID 21057375
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-3-[1-[1-[1-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-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 159888830
(Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one
CID 162282565

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is 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.CCC(C)C(CC)C(CC)C(CC)C(CC)CCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](CCc2ccccc2)OC)[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](CC[C@H](CCCCCCC)OC(C)=O)[C@H](O)C[C@@H]1O.CCCCCC/C=C/CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](CCc2ccccc2)OC)[C@H](OC(C)=O)C[C@@H]1O.CCCCCCC[C@@H](CC[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]1O)OC(C)=O.
What is the InChIKey of [(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?
The InChIKey is JVVQSGHAMWZVKL-LQIAXKOKSA-N. The full InChI is InChI=1S/C46H78O6.C44H70F2O6.C44H82O6.C42H62F2O7.C42H68O6.C40H72O6/c1-9-34(6)39(11-3)41(13-5)40(12-4)37(10-2)25-21-22-32-51-46(49)27-20-15-14-19-26-43-42(44(48)33-45(43)52-35(7)47)31-30-38(50-8)29-28-36-23-17-16-18-24-36;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;1-9-15-16-17-20-26-36(50-34(8)45)29-30-41-40(42(46)32-43(41)47)27-21-18-19-22-28-44(48)49-31-24-23-25-35(11-3)38(13-5)39(14-6)37(12-4)33(7)10-2;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;1-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-47-42(45)28-23-17-16-22-27-38-39(41(34-40(38)44)48-35(2)43)32-31-37(46-3)30-29-36-25-20-19-21-26-36;1-4-6-8-10-11-12-13-14-15-16-17-18-22-26-32-45-40(44)29-25-21-20-24-28-36-37(39(43)33-38(36)42)31-30-35(46-34(3)41)27-23-19-9-7-5-2/h14,16-19,23-24,34,37-45,48H,9-13,15,20-22,25-33H2,1-8H3;13,15-18,23-24,27-28,32,34,36-42,48H,8-12,14,19-22,25-26,29-31H2,1-7H3;18,21,33,35-43,46-47H,9-17,19-20,22-32H2,1-8H3;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;9-10,16,19-22,25-26,37-41,44H,4-8,11-15,17-18,23-24,27-34H2,1-3H3;12-13,20,24,35-39,42-43H,4-11,14-19,21-23,25-33H2,1-3H3/b19-14-;18-13-,28-27+;21-18-;10-9+,22-16-,30-29+;10-9+,22-16-;13-12+,24-20-/t34?,37?,38-,39?,40?,41?,42+,43+,44+,45-;32?,34?,36?,37?,38?,39-,40-,41-,42+;33?,35?,36-,37?,38?,39?,40+,41+,42-,43+;37-,38-,39+,40-;37-,38+,39+,40-,41+;35-,36+,37+,38-,39+/m010100/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 4202.25 g/mol, XLogP of 65.16, 169 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 159039247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).