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(+-)-(6a.alpha.,6b.alpha.,10a.alpha.,10b.alpha.)-and (6a.alpha.,6b.alpha.,10a.beta.,10b.alpha.)-6a,6b,7,8,9,10,10a,10b-Octahydro-4-methoxybenzo[3,4]cyclobuta[1,2-c][1]benzofuran-6-one
SpectraBase Compound ID LH79IshxUb3
InChI InChI=1S/C16H18O4/c1-19-12-8-4-6-10-13-9-5-2-3-7-11(9)16(13,18)15(17)20-14(10)12/h4,6,8-9,11,13,18H,2-3,5,7H2,1H3/t9-,11+,13-,16+/m0/s1
InChIKey ZKESLUUOKBPAQL-MVNLRDQZSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVPWW35g4If
Name (+-)-(6a.alpha.,6b.alpha.,10a.alpha.,10b.alpha.)-and (6a.alpha.,6b.alpha.,10a.beta.,10b.alpha.)-6a,6b,7,8,9,10,10a,10b-Octahydro-4-methoxybenzo[3,4]cyclobuta[1,2-c][1]benzofuran-6-one
Alternate Name(s) (+-)-(6a.beta.,6b.alpha.,10a.alpha.,10b.beta.)-6a,6b,7,8,9,10,10a,10b-Octahydro-4-methoxybenzo[3,4]cyclobuta[1,2-c][1]benzofuran-6-one (6aR,6bR,10aS,10bS)-6a-Hydroxy-4-methoxy-6a,6b,7,8,9,10,10a,10b-octahydro-5-oxa-benzo[a]biphenylen-6-one (6aS,6bR,10aS,10bR)-6a-hydroxy-4-methoxy-6a,6b,7,8,9,10,10a,10b-octahydro-6H-benzo[3,4]cyclobuta[1,2-c]chromen-6-one
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Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-19-12-8-4-6-10-13-9-5-2-3-7-11(9)16(13,18)15(17)20-14(10)12/h4,6,8-9,11,13,18H,2-3,5,7H2,1H3/t9-,11+,13-,16+/m0/s1
InChIKey ZKESLUUOKBPAQL-MVNLRDQZSA-N
Molecular Weight 274.316 g/mol
SMILES O[C@]12C(Oc3c([C@]2([H])[C@@]2([C@]1(CCCC2)[H])[H])cccc3OC)=O
SPLASH splash10-0006-0940000000-d55d02be137333e11e78
Source of Spectrum KC-0-2841-26
Wiley ID 780271