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(1S,2S,3R,4R)-2-[6'-(Methoxycarbonyl)hex-2'-en-1'-yl]-3-[(2"-hydroxyheptyl)sulfanyl]-cyclopentane-1,4-diol
SpectraBase Compound ID KHalLC9cb8o
InChI InChI=1S/C20H36O5S/c1-3-4-7-10-15(21)14-26-20-16(17(22)13-18(20)23)11-8-5-6-9-12-19(24)25-2/h5,8,15-18,20-23H,3-4,6-7,9-14H2,1-2H3/b8-5-/t15?,16-,17-,18+,20+/m0/s1
InChIKey WYDQFEWQNJFZCT-FOJIZMNKSA-N
Mol Weight 388.6 g/mol
Molecular Formula C20H36O5S
Exact Mass 388.228345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvYfjOoE5FL
Name (1S,2S,3R,4R)-2-[6'-(Methoxycarbonyl)hex-2'-en-1'-yl]-3-[(2"-hydroxyheptyl)sulfanyl]-cyclopentane-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O5S
InChI InChI=1S/C20H36O5S/c1-3-4-7-10-15(21)14-26-20-16(17(22)13-18(20)23)11-8-5-6-9-12-19(24)25-2/h5,8,15-18,20-23H,3-4,6-7,9-14H2,1-2H3/b8-5-/t15?,16-,17-,18+,20+/m0/s1
InChIKey WYDQFEWQNJFZCT-FOJIZMNKSA-N
Molecular Weight 388.563 g/mol
SMILES O[C@@]1([C@@]([C@@](SCC(O)CCCCC)([C@@](C1)(O)[H])[H])(C\C=C/CCCC(=O)OC)[H])[H]
SPLASH splash10-00di-0190000000-18a888221951e0b6a5ba
Source of Spectrum F2-113-121-7
Synonyms 13,14-Dihydro-12-thiaprostaglandin-F(2.alpha.)-Methyl Ester 2-[6'-(Methoxycarbonyl)hex-2'-en-1'-yl]-3-[(2''-hydroxyheptyl)sulfanyl]-cyclopentane-1,4-diol Methyl (5Z)-7-{(1S,2R,3R,5S)-3,5-dihydroxy-2-[(2-hydroxyheptyl)sulfanyl]cyclopentyl}-5-heptenoate
Wiley ID 1549555