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(2R,3R,3aS,4R,6S,6aS)-3-butyl-4,6-dimethylol-2-phenyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
SpectraBase Compound ID 8y2OhLa8uMf
InChI InChI=1S/C20H28O3/c1-2-3-9-16-17-14(11-21)10-15(12-22)19(17)20(23)18(16)13-7-5-4-6-8-13/h4-8,14-19,21-22H,2-3,9-12H2,1H3/t14-,15+,16+,17+,18-,19+/m0/s1
InChIKey OYIPJQUUOPOXCF-QZIZDEJHSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5P7dL05B6J
Name (2R,3R,3aS,4R,6S,6aS)-3-butyl-4,6-dimethylol-2-phenyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Compound Number 10N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-2-3-9-16-17-14(11-21)10-15(12-22)19(17)20(23)18(16)13-7-5-4-6-8-13/h4-8,14-19,21-22H,2-3,9-12H2,1H3/t14-,15+,16+,17+,18-,19+/m0/s1
InChIKey OYIPJQUUOPOXCF-QZIZDEJHSA-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 316.441 g/mol
Sample ID 46521
Solvent ACETONE-D6