(S)-AL 8810

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Systematic / IUPAC Name: (5Z)-7-{(1R,2R,3S,5S)-2-[(1E,3S)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl}-5-heptenoic acid

ID: Reference4725

Other Names: (Z)-7-{(1R,2R,3S,5S)-2-[(E,3S)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl}hept-5-enoic acid ;
5-Heptenoic acid, 7-{(1R,2R,3S,5S)-2-[(1E,3S)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl}-, (5Z)-

Formula: C24H31FO4

Class: Endogenous Metabolites

Spectral Data

(S)-AL 8810 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 4212
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/2/2016 1:53:30 PM
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Identificators

InChI InChI=1S/C24H31FO4/c25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18/h1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29)/b3-1-,12-11+/t19-,20-,21+,22-,23+/m1/s1
InChI Key WTYSXBKKVNOOIX-KSKLXAOMSA-N
Canonical SMILES C1C(C(C(C1F)C=CC(C2CC3=CC=CC=C3C2)O)CC=CCCCC(=O)O)O
CAS 1224444556
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Other Names (Z)-7-{(1R,2R,3S,5S)-2-[(E,3S)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl}hept-5-enoic acid ;
5-Heptenoic acid, 7-{(1R,2R,3S,5S)-2-[(1E,3S)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl}-, (5Z)-

In Other Databases

PubChem 12073628
ChemSpider 45743272