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Home > Other Heterocycles > 68794-57-0
68794-57-0 | (5Z)-5-[(1S,3R,4S,5R)-3-hydroxy-4-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-8-oxabicyclo[3.3.0]oct-7-ylidene]pentanoic acid
CAS No: 68794-57-0 Catalog No: AG0061AY MDL No:
Product Description
Catalog Number:
AG0061AY
Chemical Name:
(5Z)-5-[(1S,3R,4S,5R)-3-hydroxy-4-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-8-oxabicyclo[3.3.0]oct-7-ylidene]pentanoic acid
CAS Number:
68794-57-0
Molecular Formula:
C20H30O5
Molecular Weight:
350.4492
IUPAC Name:
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
InChI:
InChI=1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h3-4,8,10-11,14,16-19,21-22H,2,5-7,9,12-13H2,1H3,(H,23,24)/b4-3-,11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
InChI Key:
NCYSTSFUYSFMEO-OBLTVXDOSA-N
SMILES:
CC/C=C\C[C@@H](/C=C/[C@@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
3
Exact Mass:
350.209g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
350.455g/mol
Monoisotopic Mass:
350.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Dual effect of nitrate therapy for cyclosporine-induced hypertension on vascular and platelet morphofunctional markers; an animal model. | Transplantation proceedings 20071001 |
| Inhibition by eicosapentaenoic acid of IL-1beta-induced PGHS-2 expression in human microvascular endothelial cells: involvement of lipoxygenase-derived metabolites and p38 MAPK pathway. | Biochimica et biophysica acta 20030220 |
| Comparison of anti-aggregatory effects of PGI2, PGI3 and iloprost on human and rabbit platelets. | Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology 20010101 |
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