[(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

C138H231F3O21 — CID 159901371

IUPAC[(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
SMILESCCCC(CC)C(CC)C(CC)C(CC)C(CC)CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCc1ccccc1.CCCCC(CC)C(CC)C(CC)C(CC)C(CC)CC(=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.CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(OC(=O)CC(CC)C(CC)C(CC)C(CC)C(CC)CCC)[C@@H]1C/C=C\CCCC(=O)OC(C)C
InChIInChI=1S/C48H80O7.C47H73F3O8.C43H78O6/c1-10-23-37(11-2)40(13-4)42(15-6)41(14-5)38(12-3)32-48(52)55-46-33-45(54-35(9)49)43(26-21-16-17-22-27-47(51)53-34(7)8)44(46)31-30-39(50)29-28-36-24-19-18-20-25-36;1-9-15-21-33(10-2)38(12-4)40(14-6)39(13-5)34(11-3)28-46(54)58-44-30-43(57-32(7)51)42(41(44)24-18-16-17-19-25-45(53)55-8)27-26-36(52)31-56-37-23-20-22-35(29-37)47(48,49)50;1-10-17-20-24-34(44)27-28-38-39(25-21-18-19-22-26-42(46)48-31(8)9)41(30-40(38)45)49-43(47)29-33(13-4)36(15-6)37(16-7)35(14-5)32(12-3)23-11-2/h16,18-21,24-25,34,37-46,50H,10-15,17,22-23,26-33H2,1-9H3;16,18,20,22-23,26-27,29,33-34,36,38-44,52H,9-15,17,19,21,24-25,28,30-31H2,1-8H3;18,21,27-28,31-41,44-45H,10-17,19-20,22-26,29-30H2,1-9H3/b21-16-;18-16-,27-26+;21-18-,28-27+/t37?,38?,39-,40?,41?,42?,43+,44+,45-,46+;33?,34?,36-,38?,39?,40?,41-,42-,43-,44+;32?,33?,34-,35?,36?,37?,38+,39+,40+,41?/m010/s1
InChIKeyNVZQORCJVJMDCP-KZXOPIHDSA-N
MW2283.34 g/mol
LogP33.89
Rot. Bonds82

About [(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

[(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 (PubChem CID 159901371) has the molecular formula C138H231F3O21 and a molecular weight of 2283.34 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID159901371
Molecular FormulaC138H231F3O21
Molecular Weight2283.34 g/mol
Exact Mass2281.70
IUPAC Name[(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
SMILESCCCC(CC)C(CC)C(CC)C(CC)C(CC)CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCc1ccccc1.CCCCC(CC)C(CC)C(CC)C(CC)C(CC)CC(=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.CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(OC(=O)CC(CC)C(CC)C(CC)C(CC)C(CC)CCC)[C@@H]1C/C=C\CCCC(=O)OC(C)C
InChIInChI=1S/C48H80O7.C47H73F3O8.C43H78O6/c1-10-23-37(11-2)40(13-4)42(15-6)41(14-5)38(12-3)32-48(52)55-46-33-45(54-35(9)49)43(26-21-16-17-22-27-47(51)53-34(7)8)44(46)31-30-39(50)29-28-36-24-19-18-20-25-36;1-9-15-21-33(10-2)38(12-4)40(14-6)39(13-5)34(11-3)28-46(54)58-44-30-43(57-32(7)51)42(41(44)24-18-16-17-19-25-45(53)55-8)27-26-36(52)31-56-37-23-20-22-35(29-37)47(48,49)50;1-10-17-20-24-34(44)27-28-38-39(25-21-18-19-22-26-42(46)48-31(8)9)41(30-40(38)45)49-43(47)29-33(13-4)36(15-6)37(16-7)35(14-5)32(12-3)23-11-2/h16,18-21,24-25,34,37-46,50H,10-15,17,22-23,26-33H2,1-9H3;16,18,20,22-23,26-27,29,33-34,36,38-44,52H,9-15,17,19,21,24-25,28,30-31H2,1-8H3;18,21,27-28,31-41,44-45H,10-17,19-20,22-26,29-30H2,1-9H3/b21-16-;18-16-,27-26+;21-18-,28-27+/t37?,38?,39-,40?,41?,42?,43+,44+,45-,46+;33?,34?,36-,38?,39?,40?,41-,42-,43-,44+;32?,33?,34-,35?,36?,37?,38+,39+,40+,41?/m010/s1
InChIKeyNVZQORCJVJMDCP-KZXOPIHDSA-N
XLogP33.89
TPSA300.55 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds82
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002283.34
LogP ≤ 533.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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
[(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-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
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
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-[(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 (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
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-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-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-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-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]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-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate
CID 160836468

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCCC(CC)C(CC)C(CC)C(CC)C(CC)CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCc1ccccc1.CCCCC(CC)C(CC)C(CC)C(CC)C(CC)CC(=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.CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(OC(=O)CC(CC)C(CC)C(CC)C(CC)C(CC)CCC)[C@@H]1C/C=C\CCCC(=O)OC(C)C.
What is the InChIKey of [(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?
The InChIKey is NVZQORCJVJMDCP-KZXOPIHDSA-N. The full InChI is InChI=1S/C48H80O7.C47H73F3O8.C43H78O6/c1-10-23-37(11-2)40(13-4)42(15-6)41(14-5)38(12-3)32-48(52)55-46-33-45(54-35(9)49)43(26-21-16-17-22-27-47(51)53-34(7)8)44(46)31-30-39(50)29-28-36-24-19-18-20-25-36;1-9-15-21-33(10-2)38(12-4)40(14-6)39(13-5)34(11-3)28-46(54)58-44-30-43(57-32(7)51)42(41(44)24-18-16-17-19-25-45(53)55-8)27-26-36(52)31-56-37-23-20-22-35(29-37)47(48,49)50;1-10-17-20-24-34(44)27-28-38-39(25-21-18-19-22-26-42(46)48-31(8)9)41(30-40(38)45)49-43(47)29-33(13-4)36(15-6)37(16-7)35(14-5)32(12-3)23-11-2/h16,18-21,24-25,34,37-46,50H,10-15,17,22-23,26-33H2,1-9H3;16,18,20,22-23,26-27,29,33-34,36,38-44,52H,9-15,17,19,21,24-25,28,30-31H2,1-8H3;18,21,27-28,31-41,44-45H,10-17,19-20,22-26,29-30H2,1-9H3/b21-16-;18-16-,27-26+;21-18-,28-27+/t37?,38?,39-,40?,41?,42?,43+,44+,45-,46+;33?,34?,36-,38?,39?,40?,41-,42-,43-,44+;32?,33?,34-,35?,36?,37?,38+,39+,40+,41?/m010/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 2283.34 g/mol, XLogP of 33.89, 82 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 159901371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).