Systematic / IUPAC Name: (11α,13E)-11,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid
ID: Reference7585
Other Names:
15-Deoxy-16-hydroxy-16-methylprostaglandin E1;
7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl}heptanoic acid ;
7-{(1R,2R,3R)-3-Hydroxy-2-[(1E)-4-hydroxy-4-methyloct-1-en-1-yl]-5-oxocyclopentyl}heptanoic acid ;
9-Oxo-11α,16-dihydroxy-16-methyl-prost-13E-en-1-oic acid;
Prost-13-en-1-oicacid, 11,16-dihydroxy-16-methyl-9-oxo-, (11a,13E)-
Formula: C21H36O5
Class: Therapeutics/Prescription Drugs
Misoprostol acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 68 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 3/20/2018 8:57:12 AM |
InChI | InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1 |
InChI Key | CNWGPXZGIIOYDL-MKYGPDKMSA-N |
Canonical SMILES | CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O |
CAS | |
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Other Names |
15-Deoxy-16-hydroxy-16-methylprostaglandin E1; 7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl}heptanoic acid ; 7-{(1R,2R,3R)-3-Hydroxy-2-[(1E)-4-hydroxy-4-methyloct-1-en-1-yl]-5-oxocyclopentyl}heptanoic acid ; 9-Oxo-11α,16-dihydroxy-16-methyl-prost-13E-en-1-oic acid; Prost-13-en-1-oicacid, 11,16-dihydroxy-16-methyl-9-oxo-, (11a,13E)- |
PubChem | 6436406 |
ChemSpider | 4941043 |
ChEMBL | CHEMBL1201377 |
ChemIDPlus | 066792312 |