Prostaglandin A1 ethyl ester

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Systematic / IUPAC Name: Ethyl (8ξ,13E)-15-hydroxy-9-oxoprosta-10,13-dien-1-oate

ID: Reference4597

Other Names: 9-Oxo-15S-hydroxy-prosta-10,13E-dien-1-oic acid, ethyl ester;
Prosta-10,13-dien-1-oic acid, 15-hydroxy-9-oxo-, ethyl ester, (8ξ,13E)-;
PGA1 ethyl ester

Formula: C22H36O4

Class: Endogenous Metabolites

Spectral Data

Prostaglandin A1 ethyl ester mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 4374
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/20/2016 11:57:46 AM
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Identificators

InChI 1S/C22H36O4/c1-3-5-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-7-10-13-22(25)26-4-2/h14-20,23H,3-13H2,1-2H3/b16-14+/t18-,19-,20+/m0/s1
InChI Key STQVEMJKKQYNQQ-LTGPBHORSA-N
Canonical SMILES CCCCCC(O)/C=C/[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC
CAS 93464245
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Other Names 9-Oxo-15S-hydroxy-prosta-10,13E-dien-1-oic acid, ethyl ester;
Prosta-10,13-dien-1-oic acid, 15-hydroxy-9-oxo-, ethyl ester, (8ξ,13E)-;
PGA1 ethyl ester

In Other Databases

ChemSpider 21466916
PubChem 12149511