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Methyl (1R,2R,6S,7R,9R,10R)-9,10-Dihydroxy-8-oxo-tricyclo[5.4.0.0(2,6)]undecane-1-carboxylate
SpectraBase Compound ID A9ie3TcJ59y
InChI InChI=1S/C13H18O5/c1-18-12(17)13-5-8(14)10(15)11(16)9(13)6-3-2-4-7(6)13/h6-10,14-15H,2-5H2,1H3/t6-,7+,8+,9-,10+,13+/m0/s1
InChIKey OHSUSIYBMMGHJM-REEKFBGGSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YkpNkdSXA
Name Methyl (1R,2R,6S,7R,9R,10R)-9,10-Dihydroxy-8-oxo-tricyclo[5.4.0.0(2,6)]undecane-1-carboxylate
Alternate Name(s) Methyl (3aR,3bR,5R,6R,7aR,7bS)-5,6-dihydroxy-7-oxodecahydro-3bH-cyclopenta[3,4]cyclobuta[1,2-a]benzene-3b-carboxylate
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Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-18-12(17)13-5-8(14)10(15)11(16)9(13)6-3-2-4-7(6)13/h6-10,14-15H,2-5H2,1H3/t6-,7+,8+,9-,10+,13+/m0/s1
InChIKey OHSUSIYBMMGHJM-REEKFBGGSA-N
Molecular Weight 254.282 g/mol
SMILES O[C@]1([C@](C([C@]2([C@@](C1)([C@]1([C@@]2(CCC1)[H])[H])C(=O)OC)[H])=O)(O)[H])[H]
SPLASH splash10-0gb9-9760000000-5e2d54c4f9a80eaf3e1c
Source of Spectrum KD-13-1360-10
Wiley ID 1635390