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3,6-Dioxo-4,7-epibakkenolide-A
SpectraBase Compound ID 3TGXeGNOdIB
InChI InChI=1S/C15H18O4/c1-8-5-4-6-10-7-15(12(17)14(8,10)3)9(2)11(16)19-13(15)18/h6,8-9H,4-5,7H2,1-3H3/t8-,9+,14+,15+/m0/s1
InChIKey WTSCRKWOJFTHPA-MAUFJKMRSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2t9fLQgbU6C
Name 3,6-Dioxo-4,7-epibakkenolide-A
Alternate Name(s) 3,6-Dioxo-4-epibakkenolide-A (2R,3aR,4S,4'S)-3a,4,4'-trimethyl-1,3,3a,4,5,6-hexahydrospiro[indene-2,3'-oxolane]-2',3,5'-trione 3,6-Dioxo-7-epibakkenolide-A
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Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-8-5-4-6-10-7-15(12(17)14(8,10)3)9(2)11(16)19-13(15)18/h6,8-9H,4-5,7H2,1-3H3/t8-,9+,14+,15+/m0/s1
InChIKey WTSCRKWOJFTHPA-MAUFJKMRSA-N
Molecular Weight 262.305 g/mol
SMILES [C@]12(C(OC([C@]2(C)[H])=O)=O)C([C@@]2([C@](CCC=C2C1)(C)[H])C)=O
SPLASH splash10-05gi-9810000000-0f8fc2a6b1a96c168680
Source of Spectrum J-61-3813-38
Wiley ID 1265924