Fluprostenol

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Systematic / IUPAC Name: (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic acid

ID: Reference5875

Other Names: (+)-Fluprostenol;
Fluprostenol, (+)-;
Fluprostenolum;
Travoprost acid;
Travoprost free acid ; more

Formula: C23H29F3O6

Class: Endogenous Metabolites

Spectral Data

Fluprostenol 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/1/2016 11:12:16 AM
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Identificators

InChI InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
InChI Key WWSWYXNVCBLWNZ-QIZQQNKQSA-N
Canonical SMILES C1C(C(C(C1O)C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)CC=CCCCC(=O)O)O
CAS 54276174
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Other Names (+)-Fluprostenol;
Fluprostenol, (+)-;
Fluprostenolum;
Travoprost acid;
Travoprost free acid;
(Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-{(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl}cyclopentyl)hept-5-enoic acid ;
(5Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl}cyclopentyl)hept-5-enoic acid ;
16-m-Trifluoromethylphenoxy tetranorprostaglandin F2α ;
9α,11α,15R-Trihydroxy-16-[3-(trifluoromethyl)phenoxy]-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid

In Other Databases

KEGG D02728
PubChem 5311100
ChEMBL CHEMBL1201379
ChEBI CHEBI:60782
ChemSpider 4470630