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3-Methoxy-8,14-seco-6-oxaestra-1,3,5(10),8-tetraen-7,14,17-trione
SpectraBase Compound ID EpmEpezdc6
InChI InChI=1S/C18H18O5/c1-18(15(19)5-6-16(18)20)8-7-11-9-17(21)23-14-10-12(22-2)3-4-13(11)14/h3-4,9-10H,5-8H2,1-2H3
InChIKey VZLGBQRUNGUCBC-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dDnOBc6cJr
Name 3-Methoxy-8,14-seco-6-oxaestra-1,3,5(10),8-tetraen-7,14,17-trione
Alternate Name(s) 2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)ethyl]-2-methyl-1,3-cyclopentanedione
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Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-18(15(19)5-6-16(18)20)8-7-11-9-17(21)23-14-10-12(22-2)3-4-13(11)14/h3-4,9-10H,5-8H2,1-2H3
InChIKey VZLGBQRUNGUCBC-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES C1(C(CCC1=O)=O)(CCC=1c2c(cc(cc2)OC)OC(C1)=O)C
SPLASH splash10-0w29-0397000000-d6cffc9a39b69e4cb649
Source of Spectrum I-58-1430-0
Wiley ID 1315094