[(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

C179H286F2O32 — CID 158882564

IUPAC[(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
SMILESC=C(CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCc1ccccc1.C=C(CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)OC)[C@H]1CC[C@@H](O)CCc1ccccc1.C=C(CCCCCCCC)C(=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)CCCCC.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)OCC.C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H](CC[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)OC(C)C
InChIInChI=1S/C37H58O6.2C36H62O7.C35H50F2O6.C35H54O6/c1-5-6-7-8-9-13-18-29(4)37(41)43-35-27-34(39)32(21-16-10-11-17-22-36(40)42-28(2)3)33(35)26-25-31(38)24-23-30-19-14-12-15-20-30;1-7-9-11-12-13-17-20-28(5)36(40)43-34-26-33(42-29(6)37)32(25-24-30(38)21-16-10-8-2)31(34)22-18-14-15-19-23-35(39)41-27(3)4;1-7-9-11-12-13-17-20-28(5)36(40)43-34-26-33(42-29(6)37)31(32(34)25-24-30(38)21-16-10-8-2)22-18-14-15-19-23-35(39)41-27(3)4;1-4-6-7-8-9-13-18-27(3)34(40)43-32-25-31(38)29(30(32)21-16-10-11-17-22-33(39)41-5-2)23-24-35(36,37)26-42-28-19-14-12-15-20-28;1-4-5-6-7-8-12-17-27(2)35(39)41-33-26-32(37)30(20-15-9-10-16-21-34(38)40-3)31(33)25-24-29(36)23-22-28-18-13-11-14-19-28/h10,12,14-16,19-20,28,31-35,38-39H,4-9,11,13,17-18,21-27H2,1-3H3;2*14,18,27,30-34,38H,5,7-13,15-17,19-26H2,1-4,6H3;10,12,14-16,19-20,23-24,29-32,38H,3-9,11,13,17-18,21-22,25-26H2,1-2H3;9,11,13-15,18-19,29-33,36-37H,2,4-8,10,12,16-17,20-26H2,1,3H3/b16-10-;2*18-14-;16-10-,24-23+;15-9-/t31-,32+,33+,34-,35+;30-,31+,32+,33+,34-;30-,31+,32+,33-,34+;29-,30-,31-,32+;29-,30+,31+,32-,33+/m00010/s1
InChIKeyJDFBEHKWTXIWOQ-JQULSLIWSA-N
MW2988.22 g/mol
LogP40.59
Rot. Bonds112

About [(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

[(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 (PubChem CID 158882564) has the molecular formula C179H286F2O32 and a molecular weight of 2988.22 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID158882564
Molecular FormulaC179H286F2O32
Molecular Weight2988.22 g/mol
Exact Mass2986.07
IUPAC Name[(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
SMILESC=C(CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCc1ccccc1.C=C(CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)OC)[C@H]1CC[C@@H](O)CCc1ccccc1.C=C(CCCCCCCC)C(=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)CCCCC.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)OCC.C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H](CC[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)OC(C)C
InChIInChI=1S/C37H58O6.2C36H62O7.C35H50F2O6.C35H54O6/c1-5-6-7-8-9-13-18-29(4)37(41)43-35-27-34(39)32(21-16-10-11-17-22-36(40)42-28(2)3)33(35)26-25-31(38)24-23-30-19-14-12-15-20-30;1-7-9-11-12-13-17-20-28(5)36(40)43-34-26-33(42-29(6)37)32(25-24-30(38)21-16-10-8-2)31(34)22-18-14-15-19-23-35(39)41-27(3)4;1-7-9-11-12-13-17-20-28(5)36(40)43-34-26-33(42-29(6)37)31(32(34)25-24-30(38)21-16-10-8-2)22-18-14-15-19-23-35(39)41-27(3)4;1-4-6-7-8-9-13-18-27(3)34(40)43-32-25-31(38)29(30(32)21-16-10-11-17-22-33(39)41-5-2)23-24-35(36,37)26-42-28-19-14-12-15-20-28;1-4-5-6-7-8-12-17-27(2)35(39)41-33-26-32(37)30(20-15-9-10-16-21-34(38)40-3)31(33)25-24-29(36)23-22-28-18-13-11-14-19-28/h10,12,14-16,19-20,28,31-35,38-39H,4-9,11,13,17-18,21-27H2,1-3H3;2*14,18,27,30-34,38H,5,7-13,15-17,19-26H2,1-4,6H3;10,12,14-16,19-20,23-24,29-32,38H,3-9,11,13,17-18,21-22,25-26H2,1-2H3;9,11,13-15,18-19,29-33,36-37H,2,4-8,10,12,16-17,20-26H2,1,3H3/b16-10-;2*18-14-;16-10-,24-23+;15-9-/t31-,32+,33+,34-,35+;30-,31+,32+,33+,34-;30-,31+,32+,33-,34+;29-,30-,31-,32+;29-,30+,31+,32-,33+/m00010/s1
InChIKeyJDFBEHKWTXIWOQ-JQULSLIWSA-N
XLogP40.59
TPSA466.44 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds112
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002988.22
LogP ≤ 540.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(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 with MolForge

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Launch Full Analysis

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
propan-2-yl (Z)-7-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 139024558
[(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
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
[(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
(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-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 (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 126705938
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
propan-2-yl (Z)-7-[(1R,2R)-3,5-dihydroxy-2-(3-hydroxy-8-phenyloctyl)cyclopentyl]hept-5-enoate
CID 59962083

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C(CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCc1ccccc1.C=C(CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)OC)[C@H]1CC[C@@H](O)CCc1ccccc1.C=C(CCCCCCCC)C(=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)CCCCC.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)OCC.C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H](CC[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)OC(C)C.
What is the InChIKey of [(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?
The InChIKey is JDFBEHKWTXIWOQ-JQULSLIWSA-N. The full InChI is InChI=1S/C37H58O6.2C36H62O7.C35H50F2O6.C35H54O6/c1-5-6-7-8-9-13-18-29(4)37(41)43-35-27-34(39)32(21-16-10-11-17-22-36(40)42-28(2)3)33(35)26-25-31(38)24-23-30-19-14-12-15-20-30;1-7-9-11-12-13-17-20-28(5)36(40)43-34-26-33(42-29(6)37)32(25-24-30(38)21-16-10-8-2)31(34)22-18-14-15-19-23-35(39)41-27(3)4;1-7-9-11-12-13-17-20-28(5)36(40)43-34-26-33(42-29(6)37)31(32(34)25-24-30(38)21-16-10-8-2)22-18-14-15-19-23-35(39)41-27(3)4;1-4-6-7-8-9-13-18-27(3)34(40)43-32-25-31(38)29(30(32)21-16-10-11-17-22-33(39)41-5-2)23-24-35(36,37)26-42-28-19-14-12-15-20-28;1-4-5-6-7-8-12-17-27(2)35(39)41-33-26-32(37)30(20-15-9-10-16-21-34(38)40-3)31(33)25-24-29(36)23-22-28-18-13-11-14-19-28/h10,12,14-16,19-20,28,31-35,38-39H,4-9,11,13,17-18,21-27H2,1-3H3;2*14,18,27,30-34,38H,5,7-13,15-17,19-26H2,1-4,6H3;10,12,14-16,19-20,23-24,29-32,38H,3-9,11,13,17-18,21-22,25-26H2,1-2H3;9,11,13-15,18-19,29-33,36-37H,2,4-8,10,12,16-17,20-26H2,1,3H3/b16-10-;2*18-14-;16-10-,24-23+;15-9-/t31-,32+,33+,34-,35+;30-,31+,32+,33+,34-;30-,31+,32+,33-,34+;29-,30-,31-,32+;29-,30+,31+,32-,33+/m00010/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 2988.22 g/mol, XLogP of 40.59, 112 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 158882564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).