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
U-44069 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
Splash | |
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 |
PubChem | 44364273 |
ChemSpider | 23220245 |
ChEMBL | CHEMBL149724 |