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(+/-)-Dothiorelone A
SpectraBase Compound ID 6nxSsP4WlQL
InChI InChI=1S/C18H26O6/c1-3-24-17(23)10-13-9-14(20)11-16(22)18(13)15(21)8-6-4-5-7-12(2)19/h9,11-12,19-20,22H,3-8,10H2,1-2H3
InChIKey KWCIEJXMYLWALF-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C18H26O6
Exact Mass 338.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUIcDo5ChSK
Name (+/-)-Dothiorelone A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O6
InChI InChI=1S/C18H26O6/c1-3-24-17(23)10-13-9-14(20)11-16(22)18(13)15(21)8-6-4-5-7-12(2)19/h9,11-12,19-20,22H,3-8,10H2,1-2H3
InChIKey KWCIEJXMYLWALF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2011117
Molecular Weight 338.400 g/mol
SMILES Oc1cc(c(C(CCCCCC(C)O)=O)c(c1)CC(=O)OCC)O
SPLASH splash10-014j-0930000000-a6a0531bcdc7b5dc00f4
Source of Spectrum A1-13-3360/SMS11-18at170degreeC
Synonyms Ethyl 2-(3,5-dihydroxy-2-(7-hydroxyoctanoyl)phenyl)acetate 2-[3,5-dihydroxy-2-(7-hydroxy-1-oxooctyl)phenyl]acetic acid ethyl ester Ethyl 2-[3,5-dihydroxy-2-(7-hydroxyoctanoyl)phenyl]acetate Ethyl 2-[3,5-bis(oxidanyl)-2-(7-oxidanyloctanoyl)phenyl]ethanoate
Wiley ID 1753353