CAS 22973-19-9 | Prost-13-en-1-oic acid, 11-hydroxy-9,15-dioxo-, (11α,13E)- | CAS Number 22973-19-9

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22973-19-9 | Prost-13-en-1-oic acid, 11-hydroxy-9,15-dioxo-, (11α,13E)-

CAS No: 22973-19-9 Catalog No: AG002LRT MDL No:MFCD00871939

Product Description

Catalog Number:

AG002LRT

Chemical Name:

Prost-13-en-1-oic acid, 11-hydroxy-9,15-dioxo-, (11α,13E)-

CAS Number:

22973-19-9

Molecular Formula:

C20H32O5

Molecular Weight:

352.4651

MDL Number:

MFCD00871939

IUPAC Name:

7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]heptanoic acid

InChI:

InChI=1S/C20H32O5/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/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1

InChI Key:

VXPBDCBTMSKCKZ-XQHNHVHJSA-N

SMILES:

CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

UNII:

63FR527UJ6

Properties

Complexity:

469

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

352.225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

352.471g/mol

Monoisotopic Mass:

352.225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Human prostaglandin reductase 1 (PGR1): Substrate specificity, inhibitor analysis and site-directed mutagenesis.	Chemico-biological interactions 20150605
The occurrence of 15-keto-prostaglandins in the red alga Gracilaria verrucosa.	Archives of pharmacal research 20100901