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3-O-methyltithonin
SpectraBase Compound ID 44DcfrQFwJn
InChI InChI=1S/C21H30O7/c1-6-12(2)18(23)27-16-10-20(11-22)7-8-21(25-5,28-20)13(3)9-15-17(16)14(4)19(24)26-15/h9,12,15-17,22H,4,6-8,10-11H2,1-3,5H3/b13-9-
InChIKey LEUUHZDDLPUPTN-LCYFTJDESA-N
Mol Weight 394.46 g/mol
Molecular Formula C21H30O7
Exact Mass 394.199153 g/mol
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Source of Spectrum KC-1986-2019-1
  • 6,9-Epoxycyclodeca[b]furan, butanoic acid deriv.
  • Butanoic acid, 2-methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-6-(hydroxymethyl)-9-methoxy-10-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester
  • 11-(hydroxymethyl)-1-methoxy-2-methyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0(4,8)]tetradec-2-en-9-yl 2-methylbutanoate

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