(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid

C199H338O28 — CID 158287681

IUPAC(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid
SMILESC=C(CCCCCCC)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.C=C(CCCCCCC)CC[C@@H]1[C@@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O
InChIInChI=1S/C24H42O3.C24H40O2.C23H40O4.2C23H38O3.C22H38O5.C22H36O4.C19H34O2.C19H32O2/c1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23(25)22(21)14-11-8-9-12-15-24(26)27;1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23-22(21)14-11-8-9-12-15-24(25)26-23;1-3-4-5-6-9-12-18(2)15-16-20-19(21(24)17-22(20)25)13-10-7-8-11-14-23(26)27;1-3-4-5-6-9-12-19(24)15-16-20-18(2)17-22-21(20)13-10-7-8-11-14-23(25)26-22;1-3-4-5-6-9-12-18(2)15-16-19-20-13-10-7-8-11-14-23(25)26-22(20)17-21(19)24;1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27;1-2-3-4-5-8-11-17(23)14-15-18-19-12-9-6-7-10-13-22(25)26-21(19)16-20(18)24;2*1-4-5-6-7-8-9-14(2)10-11-16-15(3)12-18-17(16)13-19(20)21-18/h8,11,20-23,25H,2,4-7,9-10,12-18H2,1,3H3,(H,26,27);8,11,20-23H,2,4-7,9-10,12-18H2,1,3H3;7,10,19-22,24-25H,2-6,8-9,11-17H2,1H3,(H,26,27);7,10,18,20-22H,3-6,8-9,11-17H2,1-2H3;7,10,19-22,24H,2-6,8-9,11-17H2,1H3;6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27);6,9,18-21,24H,2-5,7-8,10-16H2,1H3;15-20H,2,4-13H2,1,3H3;15-18H,2,4-13H2,1,3H3/b;11-8-;3*10-7-;2*9-6-;;/t2*20-,21+,22-,23+;19-,20-,21+,22-;18-,20+,21-,22+;19-,20-,21-,22+;18-,19-,20+,21-;18-,19-,20-,21+;15-,16+,17-,18+,19?;15-,16+,17-,18+/m111111111/s1
InChIKeyGKZDOKDPBGMRFI-JMODKDRBSA-N
MW3178.86 g/mol
LogP49.81
Rot. Bonds99

About (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid

(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid (PubChem CID 158287681) has the molecular formula C199H338O28 and a molecular weight of 3178.86 g/mol. Its IUPAC name is (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid
PubChem CID158287681
Molecular FormulaC199H338O28
Molecular Weight3178.86 g/mol
Exact Mass3176.50
IUPAC Name(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid
SMILESC=C(CCCCCCC)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.C=C(CCCCCCC)CC[C@@H]1[C@@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O
InChIInChI=1S/C24H42O3.C24H40O2.C23H40O4.2C23H38O3.C22H38O5.C22H36O4.C19H34O2.C19H32O2/c1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23(25)22(21)14-11-8-9-12-15-24(26)27;1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23-22(21)14-11-8-9-12-15-24(25)26-23;1-3-4-5-6-9-12-18(2)15-16-20-19(21(24)17-22(20)25)13-10-7-8-11-14-23(26)27;1-3-4-5-6-9-12-19(24)15-16-20-18(2)17-22-21(20)13-10-7-8-11-14-23(25)26-22;1-3-4-5-6-9-12-18(2)15-16-19-20-13-10-7-8-11-14-23(25)26-22(20)17-21(19)24;1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27;1-2-3-4-5-8-11-17(23)14-15-18-19-12-9-6-7-10-13-22(25)26-21(19)16-20(18)24;2*1-4-5-6-7-8-9-14(2)10-11-16-15(3)12-18-17(16)13-19(20)21-18/h8,11,20-23,25H,2,4-7,9-10,12-18H2,1,3H3,(H,26,27);8,11,20-23H,2,4-7,9-10,12-18H2,1,3H3;7,10,19-22,24-25H,2-6,8-9,11-17H2,1H3,(H,26,27);7,10,18,20-22H,3-6,8-9,11-17H2,1-2H3;7,10,19-22,24H,2-6,8-9,11-17H2,1H3;6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27);6,9,18-21,24H,2-5,7-8,10-16H2,1H3;15-20H,2,4-13H2,1,3H3;15-18H,2,4-13H2,1,3H3/b;11-8-;3*10-7-;2*9-6-;;/t2*20-,21+,22-,23+;19-,20-,21+,22-;18-,20+,21-,22+;19-,20-,21-,22+;18-,19-,20+,21-;18-,19-,20-,21+;15-,16+,17-,18+,19?;15-,16+,17-,18+/m111111111/s1
InChIKeyGKZDOKDPBGMRFI-JMODKDRBSA-N
XLogP49.81
TPSA465.68 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds99
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003178.86
LogP ≤ 549.81
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane
CID 162168906
(E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
CID 5354032
(Z)-9-[(1R,2R,3R,5R)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]non-7-enoic acid
CID 70148677
(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 158287683
potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 160833613
(6Z,9R,10R)-9-(3-oxodecyl)-10-propan-2-yloxy-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one
CID 122493470
(2R,3R,3aS,5Z,11aR)-2-hydroxy-3-(3-oxodecyl)-1,2,3,3a,4,7,8,9,11,11a-decahydrocyclopenta[10]annulen-10-one
CID 118535585
potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 159571186
(8aR,9R,10R,11aS)-10-(oxan-2-yloxy)-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one
CID 154053257
7-[3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
CID 4307039
(Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
CID 5280711
(Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide
CID 89069038

Frequently Asked Questions

What is the IUPAC name of (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid?
The IUPAC name of (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid (CID 158287681) is (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid is C=C(CCCCCCC)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.C=C(CCCCCCC)CC[C@@H]1[C@@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O.
What is the InChIKey of (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid?
The InChIKey is GKZDOKDPBGMRFI-JMODKDRBSA-N. The full InChI is InChI=1S/C24H42O3.C24H40O2.C23H40O4.2C23H38O3.C22H38O5.C22H36O4.C19H34O2.C19H32O2/c1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23(25)22(21)14-11-8-9-12-15-24(26)27;1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23-22(21)14-11-8-9-12-15-24(25)26-23;1-3-4-5-6-9-12-18(2)15-16-20-19(21(24)17-22(20)25)13-10-7-8-11-14-23(26)27;1-3-4-5-6-9-12-19(24)15-16-20-18(2)17-22-21(20)13-10-7-8-11-14-23(25)26-22;1-3-4-5-6-9-12-18(2)15-16-19-20-13-10-7-8-11-14-23(25)26-22(20)17-21(19)24;1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27;1-2-3-4-5-8-11-17(23)14-15-18-19-12-9-6-7-10-13-22(25)26-21(19)16-20(18)24;2*1-4-5-6-7-8-9-14(2)10-11-16-15(3)12-18-17(16)13-19(20)21-18/h8,11,20-23,25H,2,4-7,9-10,12-18H2,1,3H3,(H,26,27);8,11,20-23H,2,4-7,9-10,12-18H2,1,3H3;7,10,19-22,24-25H,2-6,8-9,11-17H2,1H3,(H,26,27);7,10,18,20-22H,3-6,8-9,11-17H2,1-2H3;7,10,19-22,24H,2-6,8-9,11-17H2,1H3;6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27);6,9,18-21,24H,2-5,7-8,10-16H2,1H3;15-20H,2,4-13H2,1,3H3;15-18H,2,4-13H2,1,3H3/b;11-8-;3*10-7-;2*9-6-;;/t2*20-,21+,22-,23+;19-,20-,21+,22-;18-,20+,21-,22+;19-,20-,21-,22+;18-,19-,20+,21-;18-,19-,20-,21+;15-,16+,17-,18+,19?;15-,16+,17-,18+/m111111111/s1.
What are the key properties of (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid?
(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid has a molecular weight of 3178.86 g/mol, XLogP of 49.81, 99 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 158287681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).