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Prostaglandin E2 methyl ester
SpectraBase Compound ID LEWW5fupyfJ
InChI InChI=1S/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+
InChIKey WGCXTGBZBFBQPP-FCBYNYORSA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bwVrjggn7D
Name 7-(2-(3-hydroxy-1-octenyl)-3-hydroxy-5-oxocyclopentyl)-hepta-5(Z)-enoic acid methyl ester
Alternate Name(s) Methyl (5Z,13E)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate
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Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+
InChIKey WGCXTGBZBFBQPP-FCBYNYORSA-N
Molecular Weight 366.498 g/mol
SMILES OC1CC(C(C1\C=C\C(O)CCCCC)C\C=C/CCCC(=O)OC)=O
SPLASH splash10-000x-8920000000-9476f46ff26e30b37ede
Source of Spectrum B3-0-271-2
Wiley ID 1352077