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Home > Other Heterocycles > 79821-50-4
79821-50-4 | (5Z)-5-[(1S,3R,4R,5R)-3-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxo-8-oxabicyclo[3.3.0]oct-7-ylidene]pentanoic acid
CAS No: 79821-50-4 Catalog No: AG005GZP MDL No:
Product Description
Catalog Number:
AG005GZP
Chemical Name:
(5Z)-5-[(1S,3R,4R,5R)-3-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxo-8-oxabicyclo[3.3.0]oct-7-ylidene]pentanoic acid
CAS Number:
79821-50-4
Molecular Formula:
C20H30O6
Molecular Weight:
366.4486
IUPAC Name:
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid
InChI:
InChI=1S/C20H30O6/c1-2-3-4-7-13(21)10-11-14-15(22)12-17-19(14)20(25)16(26-17)8-5-6-9-18(23)24/h8,10-11,13-15,17,19,21-22H,2-7,9,12H2,1H3,(H,23,24)/b11-10+,16-8-/t13-,14-,15+,17-,19+/m0/s1
InChI Key:
ZHIHHYNLWRXTTN-GJUFTPBXSA-N
SMILES:
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C(=O)/C(=C/CCCC(=O)O)/O2)O
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
2
Exact Mass:
366.204g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.454g/mol
Monoisotopic Mass:
366.204g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Drug-induced delayed cardiac protection against the effects of myocardial ischemia. | Pharmacology & therapeutics 20051201 |
| On the 7-oxo-PgI2 induced lasting protection against ouabain arrhythmias in anesthetized guinea pigs. | Biomedica biochimica acta 19880101 |
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