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(2S,3R,3aS,4R,6S,6aS)-3-butyl-2-hexyl-4,6-dimethylol-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
SpectraBase Compound ID 2RBqdIItg6k
InChI InChI=1S/C20H36O3/c1-3-5-7-8-10-17-16(9-6-4-2)18-14(12-21)11-15(13-22)19(18)20(17)23/h14-19,21-22H,3-13H2,1-2H3/t14-,15+,16-,17-,18+,19+/m0/s1
InChIKey WFDPMGLPFZSOEZ-XNIJUTNWSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbaWIj8DJ4H
Name (2S,3R,3aS,4R,6S,6aS)-3-butyl-2-hexyl-4,6-dimethylol-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Compound Number 10K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-3-5-7-8-10-17-16(9-6-4-2)18-14(12-21)11-15(13-22)19(18)20(17)23/h14-19,21-22H,3-13H2,1-2H3/t14-,15+,16-,17-,18+,19+/m0/s1
InChIKey WFDPMGLPFZSOEZ-XNIJUTNWSA-N
Literature Reference Author A.BECHEANU,A.BARO,S.LASCHAT,W.FREY
Literature Reference Citation EUR.J.ORG.CHEM.,2215(2006)
Literature Reference DOI 10.1002/ejoc.200500966
Molecular Weight 324.504 g/mol
Sample ID 46518
Solvent ACETONE-D6