U-44069

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Systematic / IUPAC Name: (5Z)-7-{(5S,6R)-5-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}-5-heptenoic acid

ID: Reference4733

Other Names: 9,11-Dideoxy-9α,11α-epoxymethano PGF2α ;
9,11-Dideoxy-9α,11α-epoxymethano prostaglandin F2α ;
9,11-Dideoxy-9α,11α-epoxymethano-prosta-5Z,13E-dien-1-oic acid;
9,11-Epoxymethano prostaglandin H2 ;
5-Heptenoic acid, 7-{(5S,6R)-5-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}-, (5Z)-

Formula: C21H34O4

Class: Endogenous Metabolites

Spectral Data

U-44069 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 770
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/5/2016 1:42:14 PM
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Identificators

InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18-,19+,20?/m0/s1
InChI Key DJKDIKIDYDXHDD-REGKDVDGSA-N
Canonical SMILES CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OC2)O
CAS 56985321
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Other Names 9,11-Dideoxy-9α,11α-epoxymethano PGF2α ;
9,11-Dideoxy-9α,11α-epoxymethano prostaglandin F2α ;
9,11-Dideoxy-9α,11α-epoxymethano-prosta-5Z,13E-dien-1-oic acid;
9,11-Epoxymethano prostaglandin H2 ;
5-Heptenoic acid, 7-{(5S,6R)-5-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}-, (5Z)- ;
7-[5-(3-Hydroxy-oct-1-enyl)-2-oxa-bicyclo[2.2.1]hept-6-yl]-hept-5-enoic acid

In Other Databases

PubChem 44364273
ChemSpider 23220245
ChEMBL CHEMBL149724