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(1R*,3R*,4R*,5S*,6S*,8S*,9S*,10R*)-Tetracyclo-[6.2.1.1(3,6).0(2,7)]dodecan-4,5,9,10-tetraol
SpectraBase Compound ID 2UFQ7rXHPUg
InChI InChI=1S/C12H18O4/c13-9-3-1-4(10(9)14)8-6-2-5(7(3)8)11(15)12(6)16/h3-16H,1-2H2/t3-,4+,5-,6+,7?,8?,9-,10+,11-,12+
InChIKey NJTGBMGEGIRLKG-HNZJKQIASA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHOnF6DKer
Name (1R*,3R*,4R*,5S*,6S*,8S*,9S*,10R*)-Tetracyclo-[6.2.1.1(3,6).0(2,7)]dodecan-4,5,9,10-tetraol
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c13-9-3-1-4(10(9)14)8-6-2-5(7(3)8)11(15)12(6)16/h3-16H,1-2H2/t3-,4+,5-,6+,7?,8?,9-,10+,11-,12+
InChIKey NJTGBMGEGIRLKG-HNZJKQIASA-N
Molecular Weight 226.272 g/mol
SMILES O[C@@]1([C@@]([C@]2(C3C([C@]4([C@@]([C@@]([C@@]3(C4)[H])(O)[H])(O)[H])[H])[C@]1([H])C2)[H])(O)[H])[H]
SPLASH splash10-0006-0930000000-bada56329db4f84d728b
Source of Spectrum U1-2011-5852-11
Wiley ID 1688671