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all-cis-8,12-Diacetoxytetracyclo[5.5.1.0(4,13).0(10,13)]tridecane-2,6-dione
SpectraBase Compound ID BxMBxs5Wmu2
InChI InChI=1S/C17H20O6/c1-7(18)22-13-5-10-6-14(23-8(2)19)16-12(21)4-9-3-11(20)15(13)17(9,10)16/h9-10,13-16H,3-6H2,1-2H3/t9-,10+,13-,14-,15-,16+,17?/m1/s1
InChIKey SYIMAVFARWRGMY-LORIHRDBSA-N
Mol Weight 320.34 g/mol
Molecular Formula C17H20O6
Exact Mass 320.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID d1X10YEPg
Name all-cis-8,12-Diacetoxytetracyclo[5.5.1.0(4,13).0(10,13)]tridecane-2,6-dione
Alternate Name(s) 4-(acetyloxy)-5,8-dioxododecahydropentaleno[1,6-cd]pentalen-1-yl acetate Acetic acid (1R,2aS,4R,4aS,6aR,8aR)-4-acetoxy-5,8-dioxo-dodecahydro-pentaleno[1,6-cd]pentalen-1-yl ester
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Formula C17H20O6
InChI InChI=1S/C17H20O6/c1-7(18)22-13-5-10-6-14(23-8(2)19)16-12(21)4-9-3-11(20)15(13)17(9,10)16/h9-10,13-16H,3-6H2,1-2H3/t9-,10+,13-,14-,15-,16+,17?/m1/s1
InChIKey SYIMAVFARWRGMY-LORIHRDBSA-N
Molecular Weight 320.341 g/mol
SMILES C123[C@@]4(C(=O)C[C@]3(CC([C@]1([C@](OC(=O)C)(C[C@]2(C[C@]4(OC(=O)C)[H])[H])[H])[H])=O)[H])[H]
SPLASH splash10-0i00-0090000000-662449b951d96c434e6b
Source of Spectrum AT-31-4288-6
Wiley ID 835785