[(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid

C207H334O36 — CID 159170792

IUPAC[(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid
SMILESC=C(CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)O)[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)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\CCCC(=O)OC)[C@H]1CC[C@@H](O)CCc1ccccc1.C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)OC(C)C.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=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)OCC
InChIInChI=1S/C36H56O6.C35H54O6.2C34H52O6.2C34H60O6/c1-4-6-7-8-9-13-18-28(3)36(40)42-34-27-33(38)31(26-25-30(37)24-23-29-19-14-12-15-20-29)32(34)21-16-10-11-17-22-35(39)41-5-2;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;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;1-3-4-5-6-7-11-16-26(2)34(39)40-32-25-31(36)29(19-14-8-9-15-20-33(37)38)30(32)24-23-28(35)22-21-27-17-12-10-13-18-27;1-6-8-10-11-12-16-19-27(5)34(38)40-32-25-31(36)29(24-23-28(35)20-15-9-7-2)30(32)21-17-13-14-18-22-33(37)39-26(3)4;1-6-8-10-11-12-16-19-27(5)34(38)40-32-25-31(36)29(30(32)24-23-28(35)20-15-9-7-2)21-17-13-14-18-22-33(37)39-26(3)4/h10,12,14-16,19-20,30-34,37-38H,3-9,11,13,17-18,21-27H2,1-2H3;9,11,13-15,18-19,29-33,36-37H,2,4-8,10,12,16-17,20-26H2,1,3H3;2*8,10,12-14,17-18,28-32,35-36H,2-7,9,11,15-16,19-25H2,1H3,(H,37,38);2*13,17,26,28-32,35-36H,5-12,14-16,18-25H2,1-4H3/b16-10-;15-9-;2*14-8-;2*17-13-/t30-,31+,32+,33+,34-;29-,30+,31+,32-,33+;28-,29+,30+,31+,32-;28-,29+,30+,31-,32+;28-,29+,30+,31+,32-;28-,29+,30+,31-,32+/m000000/s1
InChIKeyKLQVIEDPHSHEAM-LOLGNOPNSA-N
MW3398.91 g/mol
LogP45.26
Rot. Bonds131

About [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid

[(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid (PubChem CID 159170792) has the molecular formula C207H334O36 and a molecular weight of 3398.91 g/mol. Its IUPAC name is [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name[(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid
PubChem CID159170792
Molecular FormulaC207H334O36
Molecular Weight3398.91 g/mol
Exact Mass3396.43
IUPAC Name[(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid
SMILESC=C(CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)O)[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)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\CCCC(=O)OC)[C@H]1CC[C@@H](O)CCc1ccccc1.C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)OC(C)C.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=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)OCC
InChIInChI=1S/C36H56O6.C35H54O6.2C34H52O6.2C34H60O6/c1-4-6-7-8-9-13-18-28(3)36(40)42-34-27-33(38)31(26-25-30(37)24-23-29-19-14-12-15-20-29)32(34)21-16-10-11-17-22-35(39)41-5-2;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;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;1-3-4-5-6-7-11-16-26(2)34(39)40-32-25-31(36)29(19-14-8-9-15-20-33(37)38)30(32)24-23-28(35)22-21-27-17-12-10-13-18-27;1-6-8-10-11-12-16-19-27(5)34(38)40-32-25-31(36)29(24-23-28(35)20-15-9-7-2)30(32)21-17-13-14-18-22-33(37)39-26(3)4;1-6-8-10-11-12-16-19-27(5)34(38)40-32-25-31(36)29(30(32)24-23-28(35)20-15-9-7-2)21-17-13-14-18-22-33(37)39-26(3)4/h10,12,14-16,19-20,30-34,37-38H,3-9,11,13,17-18,21-27H2,1-2H3;9,11,13-15,18-19,29-33,36-37H,2,4-8,10,12,16-17,20-26H2,1,3H3;2*8,10,12-14,17-18,28-32,35-36H,2-7,9,11,15-16,19-25H2,1H3,(H,37,38);2*13,17,26,28-32,35-36H,5-12,14-16,18-25H2,1-4H3/b16-10-;15-9-;2*14-8-;2*17-13-/t30-,31+,32+,33+,34-;29-,30+,31+,32-,33+;28-,29+,30+,31+,32-;28-,29+,30+,31-,32+;28-,29+,30+,31+,32-;28-,29+,30+,31-,32+/m000000/s1
InChIKeyKLQVIEDPHSHEAM-LOLGNOPNSA-N
XLogP45.26
TPSA580.36 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds131
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003398.91
LogP ≤ 545.26
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Analyze [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid?
The IUPAC name of [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid (CID 159170792) is [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid?
The canonical SMILES for [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(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\CCCC(=O)O)[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)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\CCCC(=O)OC)[C@H]1CC[C@@H](O)CCc1ccccc1.C=C(CCCCCCCC)C(=O)O[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)OC(C)C.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=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)OCC.
What is the InChIKey of [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid?
The InChIKey is KLQVIEDPHSHEAM-LOLGNOPNSA-N. The full InChI is InChI=1S/C36H56O6.C35H54O6.2C34H52O6.2C34H60O6/c1-4-6-7-8-9-13-18-28(3)36(40)42-34-27-33(38)31(26-25-30(37)24-23-29-19-14-12-15-20-29)32(34)21-16-10-11-17-22-35(39)41-5-2;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;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;1-3-4-5-6-7-11-16-26(2)34(39)40-32-25-31(36)29(19-14-8-9-15-20-33(37)38)30(32)24-23-28(35)22-21-27-17-12-10-13-18-27;1-6-8-10-11-12-16-19-27(5)34(38)40-32-25-31(36)29(24-23-28(35)20-15-9-7-2)30(32)21-17-13-14-18-22-33(37)39-26(3)4;1-6-8-10-11-12-16-19-27(5)34(38)40-32-25-31(36)29(30(32)24-23-28(35)20-15-9-7-2)21-17-13-14-18-22-33(37)39-26(3)4/h10,12,14-16,19-20,30-34,37-38H,3-9,11,13,17-18,21-27H2,1-2H3;9,11,13-15,18-19,29-33,36-37H,2,4-8,10,12,16-17,20-26H2,1,3H3;2*8,10,12-14,17-18,28-32,35-36H,2-7,9,11,15-16,19-25H2,1H3,(H,37,38);2*13,17,26,28-32,35-36H,5-12,14-16,18-25H2,1-4H3/b16-10-;15-9-;2*14-8-;2*17-13-/t30-,31+,32+,33+,34-;29-,30+,31+,32-,33+;28-,29+,30+,31+,32-;28-,29+,30+,31-,32+;28-,29+,30+,31+,32-;28-,29+,30+,31-,32+/m000000/s1.
What are the key properties of [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid?
[(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid has a molecular weight of 3398.91 g/mol, XLogP of 45.26, 131 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,4R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxy-3-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-hydroxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 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;(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-(2-methylidenedecanoyloxy)cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 159170792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).