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Prost-13-en-1-oic acid, 11,18-dihydroxy-9-oxo-, methyl ester, (11.alpha.,13E,18S)-
SpectraBase Compound ID 93XpdwlQZm8
InChI InChI=1S/C21H36O5/c1-3-16(22)11-7-6-9-13-18-17(19(23)15-20(18)24)12-8-4-5-10-14-21(25)26-2/h9,13,16-18,20,22,24H,3-8,10-12,14-15H2,1-2H3/b13-9+/t16-,17+,18+,20+/m0/s1
InChIKey IVQAJPUUIFQBGW-KSAMPWEPSA-N
Mol Weight 368.5 g/mol
Molecular Formula C21H36O5
Exact Mass 368.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FL3lL4tVVpL
Name Prost-13-en-1-oic acid, 11,18-dihydroxy-9-oxo-, methyl ester, (11.alpha.,13E,18S)-
CAS Registry Number 128456-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O5
InChI InChI=1S/C21H36O5/c1-3-16(22)11-7-6-9-13-18-17(19(23)15-20(18)24)12-8-4-5-10-14-21(25)26-2/h9,13,16-18,20,22,24H,3-8,10-12,14-15H2,1-2H3/b13-9+/t16-,17+,18+,20+/m0/s1
InChIKey IVQAJPUUIFQBGW-KSAMPWEPSA-N
Molecular Weight 368.514 g/mol
SMILES O[C@@]1(CC([C@@]([C@]1(\C=C\CCC[C@@](O)(CC)[H])[H])(CCCCCCC(=O)OC)[H])=O)[H]
SPLASH splash10-0pb9-9007000000-d751eae09cf71a279ee9
Source of Spectrum I-68-290-30
Synonyms 2-(6'-Carboxymethylhexyl)-3-(e-1''-octen-7''-olyl)-4-hydroxycyclopentanone Methyl (11beta,13E,18S)-11,18-dihydroxy-9-oxoprost-13-en-1-oate
Wiley ID 1353166