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(+-)-Eremopetasidione
SpectraBase Compound ID 4hqfyBxYeyF
InChI InChI=1S/C14H20O3/c1-8-12(16)5-4-10-6-13(17)11(9(2)15)7-14(8,10)3/h7-8,10,12,16H,4-6H2,1-3H3/t8-,10?,12+,14-/m1/s1
InChIKey ZKOZDFWTXYIUDZ-BTJCYFGCSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42gvLUEMGED
Name (+-)-Eremopetasidione
Alternate Name(s) (4aR,5S,6S)-3-Acetyl-6-hydroxy-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-8-12(16)5-4-10-6-13(17)11(9(2)15)7-14(8,10)3/h7-8,10,12,16H,4-6H2,1-3H3/t8-,10?,12+,14-/m1/s1
InChIKey ZKOZDFWTXYIUDZ-BTJCYFGCSA-N
Molecular Weight 236.311 g/mol
SMILES O[C@@]1([C@]([C@]2(C=C(C(=O)C)C(CC2CC1)=O)C)(C)[H])[H]
SPLASH splash10-03dl-3930000000-bfc8ad556ee41be8ead9
Source of Spectrum J-73-2563-18
Wiley ID 1668149