1a,1b-Dihomo prostaglandin E1

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Systematic / IUPAC Name: 9-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-5-oxocyclopentyl}nonanoic acid

ID: Reference9833

Other Names: 1a,1b-Dihomo-PGE1;
1a,1b-Dihomoprostaglandin E1;
9-Oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid;
9-oxo-11α,15S-dihydroxy-1a,1b-dihomo-prost-13E-en-1-oic acid

Formula: C22H38O5

Class: Endogenous Metabolites

Spectral Data

1a,1b-Dihomo prostaglandin E1 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 Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 2922
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/17/2020 8:27:53 AM
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Identificators

InChI InChI=1S/C22H38O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h14-15,17-19,21,23,25H,2-13,16H2,1H3,(H,26,27)/b15-14+/t17-,18+,19+,21+/m0/s1
InChI Key YMDDELUTDBQEMT-QZCLESEGSA-N
Canonical SMILES CCCCCC(C=CC1C(CC(=O)C1CCCCCCCCC(=O)O)O)O
CAS 23452984
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Other Names 1a,1b-Dihomo-PGE1;
1a,1b-Dihomoprostaglandin E1;
9-Oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid;
9-oxo-11α,15S-dihydroxy-1a,1b-dihomo-prost-13E-en-1-oic acid

In Other Databases

PubChem 5283099
ChemSpider 4446225