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9-O-Acetoxy-17,18-didehydro-PGF(3.alpha.) methyl ester
SpectraBase Compound ID Iub4qX96Ut4
InChI InChI=1S/C23H34O6/c1-4-5-8-11-18(25)14-15-19-20(22(16-21(19)26)29-17(2)24)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-22,25-26H,4,7,10-13,16H2,1-3H3/b9-6+,15-14+/t18-,19+,20+,21+,22-/m0/s1
InChIKey IPFAKSIXYTXRQI-ZFWCLQOTSA-N
Mol Weight 406.5 g/mol
Molecular Formula C23H34O6
Exact Mass 406.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyLHcZka1Jl
Name 9-O-Acetoxy-17,18-didehydro-PGF(3.alpha.) methyl ester
Alternate Name(s) (5E,9beta,11beta,13E,15S)-11,15-dihydroxy-1-methoxy-1-oxoprosta-5,13-dien-17-yn-9-yl acetate (E)-7-[(1R,2R,3R,5S)-5-Acetoxy-3-hydroxy-2-((E)-(S)-3-hydroxy-oct-1-en-5-ynyl)-cyclopentyl]-hept-5-enoic acid methyl ester
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Formula C23H34O6
InChI InChI=1S/C23H34O6/c1-4-5-8-11-18(25)14-15-19-20(22(16-21(19)26)29-17(2)24)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-22,25-26H,4,7,10-13,16H2,1-3H3/b9-6+,15-14+/t18-,19+,20+,21+,22-/m0/s1
InChIKey IPFAKSIXYTXRQI-ZFWCLQOTSA-N
Molecular Weight 406.519 g/mol
SMILES O[C@@]1(C[C@@]([C@@]([C@]1(\C=C\[C@](CC#CCC)(O)[H])[H])(C\C=C\CCCC(=O)OC)[H])(OC(=O)C)[H])[H]
SPLASH splash10-03di-0069000000-4a48daa2302b66aa77d9
Source of Spectrum F-48-1978-15
Wiley ID 1372214