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1-Cyclopentene-1-heptanoic acid, 3-[(2-hydroxyheptyl)thio]-5-oxo-, methyl ester, [S-(R*,R*)]-
SpectraBase Compound ID L3bK3AsaUOo
InChI InChI=1S/C20H34O4S/c1-3-4-7-11-17(21)15-25-18-13-16(19(22)14-18)10-8-5-6-9-12-20(23)24-2/h13,17-18,21H,3-12,14-15H2,1-2H3/t17-,18+/m0/s1
InChIKey FMVJDUYQJOTRPZ-ZWKOTPCHSA-N
Mol Weight 370.5 g/mol
Molecular Formula C20H34O4S
Exact Mass 370.217781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwydJoHroyz
Name 1-Cyclopentene-1-heptanoic acid, 3-[(2-hydroxyheptyl)thio]-5-oxo-, methyl ester, [S-(R*,R*)]-
CAS Registry Number 82542-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O4S
InChI InChI=1S/C20H34O4S/c1-3-4-7-11-17(21)15-25-18-13-16(19(22)14-18)10-8-5-6-9-12-20(23)24-2/h13,17-18,21H,3-12,14-15H2,1-2H3/t17-,18+/m0/s1
InChIKey FMVJDUYQJOTRPZ-ZWKOTPCHSA-N
Molecular Weight 370.548 g/mol
SMILES O[C@](CS[C@@]1(C=C(C(C1)=O)CCCCCCC(=O)OC)[H])(CCCCC)[H]
SPLASH splash10-004i-2981000000-f8614efd84fa7878d554
Source of Spectrum F-38-158-0
Synonyms 5-(6-Methoxycarbonylhexyl)-3-[2(S)-hydroxyheptylthio]-2-cyclopentenone Methyl 7-((3S)-3-{[(2S)-2-hydroxyheptyl]sulfanyl}-5-oxo-1-cyclopenten-1-yl)heptanoate
Wiley ID 1354259