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119314-69-1 | Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S)-, homopolymer (9CI)
CAS No: 119314-69-1 Catalog No: AG000ILI MDL No:
Product Description
Catalog Number:
AG000ILI
Chemical Name:
Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S)-, homopolymer (9CI)
CAS Number:
119314-69-1
Molecular Formula:
C20H34O5
Molecular Weight:
354.4810
IUPAC Name:
7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoic acid
InChI:
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)
InChI Key:
GMVPRGQOIOIIMI-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H](/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.241g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.487g/mol
Monoisotopic Mass:
354.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Vasoconstrictor responses, and underlying mechanisms, to isoprostanes in human and porcine bronchial arterial smooth muscle. | British journal of pharmacology 20031001 |
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