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(2S,3R,3aS,4R,6S,6aS)-2-hexyl-4,6-dimethylol-3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
SpectraBase Compound ID E5s0Z9xXaP3
InChI InChI=1S/C22H32O3/c1-2-3-4-8-11-18-19(15-9-6-5-7-10-15)20-16(13-23)12-17(14-24)21(20)22(18)25/h5-7,9-10,16-21,23-24H,2-4,8,11-14H2,1H3/t16-,17+,18-,19-,20+,21+/m0/s1
InChIKey PEWPHCYEOSAWBP-NXMWLWCLSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYarl59lIkf
Name (2S,3R,3aS,4R,6S,6aS)-2-hexyl-4,6-dimethylol-3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Compound Number 10L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-2-3-4-8-11-18-19(15-9-6-5-7-10-15)20-16(13-23)12-17(14-24)21(20)22(18)25/h5-7,9-10,16-21,23-24H,2-4,8,11-14H2,1H3/t16-,17+,18-,19-,20+,21+/m0/s1
InChIKey PEWPHCYEOSAWBP-NXMWLWCLSA-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 344.494 g/mol
Sample ID 46519
Solvent ACETONE-D6