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(3aS,3bR,5aR,6R,9aR,9bS,11aR)-2-keto-6,9a,11a-trimethyl-1,3a,3b,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[5,6-g]benzofuran-6-carboxylic acid methyl ester
SpectraBase Compound ID IlMXjZmaThK
InChI InChI=1S/C21H32O4/c1-19-11-8-14-13(17(19)25-16(22)12-19)6-7-15-20(14,2)9-5-10-21(15,3)18(23)24-4/h13-15,17H,5-12H2,1-4H3/t13-,14+,15-,17+,19-,20-,21-/m1/s1
InChIKey JHSPVPAJCBYEGM-SIWSDDPFSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHb1ncI3hFe
Name (3aS,3bR,5aR,6R,9aR,9bS,11aR)-2-keto-6,9a,11a-trimethyl-1,3a,3b,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[5,6-g]benzofuran-6-carboxylic acid methyl ester
Compound Number 19
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-19-11-8-14-13(17(19)25-16(22)12-19)6-7-15-20(14,2)9-5-10-21(15,3)18(23)24-4/h13-15,17H,5-12H2,1-4H3/t13-,14+,15-,17+,19-,20-,21-/m1/s1
InChIKey JHSPVPAJCBYEGM-SIWSDDPFSA-N
Literature Reference Author A.SANFELICIANO,M.MEDARDE,F.TOME,B.HEBRERO,E.CABALLERO
Literature Reference Citation MAGN.RES.CHEM.,27,1166(1989)
Literature Reference DOI 10.1002/mrc.1260271211
Molecular Weight 348.483 g/mol
Solvent CDCl3
Source File Reference UWCS16178