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(1S,2S,3R,4R)-2-[6'-(Hydroxycarbonyl)hex-2'-en-1'-yl]-3-[(2"-hydroxyheptyl)sulfanyl]-cyclopentane-1,4-diol
SpectraBase Compound ID LGsNg1JQH3y
InChI InChI=1S/C19H34O5S/c1-2-3-6-9-14(20)13-25-19-15(16(21)12-17(19)22)10-7-4-5-8-11-18(23)24/h4,7,14-17,19-22H,2-3,5-6,8-13H2,1H3,(H,23,24)/b7-4-/t14?,15-,16-,17+,19+/m0/s1
InChIKey OPUNSUWYAONQFY-VBNOEHCVSA-N
Mol Weight 374.5 g/mol
Molecular Formula C19H34O5S
Exact Mass 374.212695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDnM5CQleJt
Name (1S,2S,3R,4R)-2-[6'-(Hydroxycarbonyl)hex-2'-en-1'-yl]-3-[(2"-hydroxyheptyl)sulfanyl]-cyclopentane-1,4-diol
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Formula C19H34O5S
InChI InChI=1S/C19H34O5S/c1-2-3-6-9-14(20)13-25-19-15(16(21)12-17(19)22)10-7-4-5-8-11-18(23)24/h4,7,14-17,19-22H,2-3,5-6,8-13H2,1H3,(H,23,24)/b7-4-/t14?,15-,16-,17+,19+/m0/s1
InChIKey OPUNSUWYAONQFY-VBNOEHCVSA-N
Molecular Weight 374.536 g/mol
SMILES O[C@]1(C[C@]([C@@]([C@]1(C\C=C/CCCC(=O)O)[H])(SCC(O)CCCCC)[H])(O)[H])[H]
SPLASH splash10-0a4l-9681000000-4319e16927ba1ed795f9
Source of Spectrum F2-113-121-6
Synonyms (5Z)-7-{(1S,2R,3R,5S)-3,5-dihydroxy-2-[(2-hydroxyheptyl)sulfanyl]cyclopentyl}-5-heptenoic acid 2-[6'-(Hydroxycarbonyl)hex-2'-en-1'-yl]-3-[(2''-hydroxyheptyl)sulfanyl]-cyclopentane-1,4-diol
Wiley ID 1549553