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(1S,4aR,5S,8aR)-5-(2-furan-3-ylethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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(1S,4aR,5S,8aR)-5-(2-furan-3-ylethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
SpectraBase Compound ID ERzifMMhELs
InChI InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m0/s1
InChIKey ZQHJXKYYELWEOK-CUDHKJQZSA-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 66Er184XIdP
Name (1S,4aR,5S,8aR)-5-(2-furan-3-ylethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m0/s1
InChIKey ZQHJXKYYELWEOK-CUDHKJQZSA-N
Literature Reference Author B.B.COTA,D.M.DEOLIVEIRA,E.P.DESIQUEIRA,E.M.SOUZA-FAGUNDES,A. M.C.PIMENTA,D.M.SANT
Literature Reference Citation FITOTERAPIA,82,969(2011)
Literature Reference DOI 10.1016/j.fitote.2011.05.014
Molecular Weight 316.441 g/mol
Solvent CDCl3
Source File Reference UWDB1058