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(2S,3R,3aS,4R,6S,6aS)-2-amyl-4,6-dimethylol-3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
SpectraBase Compound ID CBUzEuX7nQu
InChI InChI=1S/C21H30O3/c1-2-3-5-10-17-18(14-8-6-4-7-9-14)19-15(12-22)11-16(13-23)20(19)21(17)24/h4,6-9,15-20,22-23H,2-3,5,10-13H2,1H3/t15-,16+,17-,18-,19+,20+/m0/s1
InChIKey SNDWYYDTDBYVMX-GNVSMLMZSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92WT65erQa
Name (2S,3R,3aS,4R,6S,6aS)-2-amyl-4,6-dimethylol-3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Compound Number 10I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-2-3-5-10-17-18(14-8-6-4-7-9-14)19-15(12-22)11-16(13-23)20(19)21(17)24/h4,6-9,15-20,22-23H,2-3,5,10-13H2,1H3/t15-,16+,17-,18-,19+,20+/m0/s1
InChIKey SNDWYYDTDBYVMX-GNVSMLMZSA-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 330.467 g/mol
Sample ID 46516
Solvent ACETONE-D6