16,16-Dimethyl prostaglandin A2

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Systematic / IUPAC Name: (5Z,13E,15R)-15-Hydroxy-16,16-dimethyl-9-oxoprosta-5,10,13-trien-1-oic acid

ID: Reference4730

Other Names: (Z)-7-{(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl}hept-5-enoic acid ;
16,16-Dimethyl-PGA2 ;
9-Oxo-15R-hydroxy-16,16-dimethyl-5Z,10Z,13E-prostatrienoic acid

Formula: C22H34O4

Class: Endogenous Metabolites

Spectral Data

16,16-Dimethyl prostaglandin A2 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 713
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/5/2016 10:50:56 AM
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Identificators

InChI InChI=1S/C22H34O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,12-15,17-18,20,24H,4-5,7,9-11,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1
InChI Key MOTPSJUHMGPRFZ-QEJIITRLSA-N
Canonical SMILES CCCCC(C)(C)C(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
CAS 41691923
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Other Names (Z)-7-{(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl}hept-5-enoic acid ;
16,16-Dimethyl-PGA2 ;
9-Oxo-15R-hydroxy-16,16-dimethyl-5Z,10Z,13E-prostatrienoic acid

In Other Databases

ChemSpider 4446209
PubChem 5283083