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5,6-Didehydroprostaglandin F2.alpha.-methyl ester
SpectraBase Compound ID GFQXQtq7MNe
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/h13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b14-13+/t16?,17-,18-,19?,20?/m1/s1
InChIKey GYPGTUAFSDZKQM-BETVAEABSA-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 K3kXNtYi3lr
Name 5,6-Didehydroprostaglandin F2.alpha.-methyl ester
CAS Registry Number 104246-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/h13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b14-13+/t16?,17-,18-,19?,20?/m1/s1
InChIKey GYPGTUAFSDZKQM-BETVAEABSA-N
Molecular Weight 366.498 g/mol
SMILES OC(\C=C\[C@@]1([C@](C(CC1O)O)(CC#CCCCC(=O)OC)[H])[H])CCCCC
SPLASH splash10-00kf-7953000000-8c3abe4a03d68ee88bf7
Source of Spectrum B-40-1222-13
Synonyms Methyl (13E)-9,11,15-trihydroxyprost-13-en-5-yn-1-oate Methyl 9,11,15-trihydroxyprost-13-en-5-ynoate
Wiley ID 1352084