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17,18-DidehydroPGE3(.alpha.) methyl ester
SpectraBase Compound ID JlEJLYDE72q
InChI InChI=1S/C21H30O5/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,3,6,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,20+/m0/s1
InChIKey PKNRJTXOWPBZSK-ZYONDNFOSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDSanc8bhDv
Name 17,18-DidehydroPGE3(.alpha.) methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/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,3,6,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,20+/m0/s1
InChIKey PKNRJTXOWPBZSK-ZYONDNFOSA-N
Molecular Weight 362.466 g/mol
SMILES O[C@@]1(CC([C@@]([C@]1(\C=C\[C@](CC#CCC)(O)[H])[H])(C\C=C/CCCC(=O)OC)[H])=O)[H]
SPLASH splash10-0002-0090000000-d353d71bd55f4802da0a
Source of Spectrum F-48-1978-13
Synonyms Methyl (5Z,11beta,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-17-yn-1-oate
Wiley ID 1349754