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(+-)-(4a.alpha.,6.alpha.,7.alpha.,7a.alpha.)-Hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-3(1H)-one [(+-)-Abelialactone racemic Aglykon A1 (+-)-Isoboonein]
SpectraBase Compound ID Lu1JVSed8QD
InChI InChI=1S/C9H14O3/c1-5-7-4-12-9(11)3-6(7)2-8(5)10/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKey DPDXVBIWZBJGSX-XUTVFYLZSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vmdpL9KPPy
Name (+-)-(4a.alpha.,6.alpha.,7.alpha.,7a.alpha.)-Hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-3(1H)-one [(+-)-Abelialactone racemic Aglykon A1 (+-)-Isoboonein]
Alternate Name(s) Isoboonein (4aR,6S,7R,7aS)-7-methyl-6-oxidanyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-5-7-4-12-9(11)3-6(7)2-8(5)10/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKey DPDXVBIWZBJGSX-XUTVFYLZSA-N
Molecular Weight 170.208 g/mol
SMILES O[C@]1(C[C@]2([C@@]([C@]1(C)[H])(COC(C2)=O)[H])[H])[H]
SPLASH splash10-01w0-1900000000-c90ee5124dc03cdc9afc
Source of Spectrum E2-46-1453-1
Wiley ID 1554592