AL 8810

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

ID: Reference4726

Other Names: AL8810;
(Z)-7-{(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl}hept-5-enoic acid ;
(5Z, 13E)-(9S,11S,15R)-9,15,Dihydroxy-11-fluoro-15-(2-indanyl)-16,17,18,19,20,pentanor-5,13-prostadienoic acid

Formula: C24H31FO4

Class: Endogenous Metabolites

Spectral Data

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 4085
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/2/2016 1:43:18 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-JTGCGUAKSA-N
Canonical SMILES C1C(C(C(C1F)C=CC(C2CC3=CC=CC=C3C2)O)CC=CCCCC(=O)O)O
CAS 246246195
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Other Names AL8810;
(Z)-7-{(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl}hept-5-enoic acid ;
(5Z, 13E)-(9S,11S,15R)-9,15,Dihydroxy-11-fluoro-15-(2-indanyl)-16,17,18,19,20,pentanor-5,13-prostadienoic acid

In Other Databases

ChemSpider 4470757
PubChem 5311238
ChEMBL CHEMBL1332680