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