3-Methoxy prostaglandin F1α

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Systematic / IUPAC Name: (9α,11α,13E,15S)-9,11,15-Trihydroxy-3-methoxyprost-13-en-1-oic acid

ID: Reference4719

Other Names: 7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl}-3-methoxyheptanoic acid ;
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-3-methoxy-, (9α,11α,13E,15S)-;
3-Methoxy PGF1α

Formula: C21H38O6

Class: Endogenous Metabolites

Spectral Data

3-Methoxy prostaglandin F1α 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 587
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/29/2016 2:35:48 PM
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Identificators

InChI InChI=1S/C21H38O6/c1-3-4-5-8-15(22)11-12-18-17(19(23)14-20(18)24)10-7-6-9-16(27-2)13-21(25)26/h11-12,15-20,22-24H,3-10,13-14H2,1-2H3,(H,25,26)/b12-11+/t15-,16?,17+,18+,19-,20+/m0/s1
InChI Key UBKBNBIEPZZFBF-XZFPMTPLSA-N
Canonical SMILES CCCCCC(C=CC1C(CC(C1CCCCC(CC(=O)O)OC)O)O)O
CAS 54432438
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Other Names 7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl}-3-methoxyheptanoic acid ;
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-3-methoxy-, (9α,11α,13E,15S)-;
3-Methoxy PGF1α

In Other Databases

PubChem 91885952
ChemSpider 29341817