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Prosta-8,13-dien-1-oic acid, 15-(acetyloxy)-9-oxo-, methyl ester, (13E,15S)-
SpectraBase Compound ID CMUdwJLlQ8t
InChI InChI=1S/C23H36O5/c1-4-5-8-11-20(28-18(2)24)16-14-19-15-17-22(25)21(19)12-9-6-7-10-13-23(26)27-3/h14,16,20H,4-13,15,17H2,1-3H3/b16-14+
InChIKey ILRVEIFQAGGFJP-JQIJEIRASA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWJHuF2FIip
Name Prosta-8,13-dien-1-oic acid, 15-(acetyloxy)-9-oxo-, methyl ester, (13E,15S)-
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-4-5-8-11-20(28-18(2)24)16-14-19-15-17-22(25)21(19)12-9-6-7-10-13-23(26)27-3/h14,16,20H,4-13,15,17H2,1-3H3/b16-14+
InChIKey ILRVEIFQAGGFJP-JQIJEIRASA-N
Molecular Weight 392.536 g/mol
SMILES [C@](\C=C\C1=C(CCCCCCC(OC)=O)C(=O)CC1)(CCCCC)(OC(C)=O)[H]