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#2;ILIMAQUINONE;[1R-(1-BETA,2-BETA,4A-BETA,8A-ALPHA)-3-(DECAHYDRO-1,2,4A,5-TRIMETHYL-5-METHYLEN-1-NAPHTHYL)-METHYL]-2-HYDROXY-5-METHOXY-2,5-CYCLOHEXADIENE-1,4-
SpectraBase Compound ID JblmsvjjVIF
InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21+,22+/m0/s1
InChIKey JJWITJNSXCXULM-YVUMSICPSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3ITKNV1fQ9
Name #2;ILIMAQUINONE;[1R-(1-BETA,2-BETA,4A-BETA,8A-ALPHA)-3-(DECAHYDRO-1,2,4A,5-TRIMETHYL-5-METHYLEN-1-NAPHTHYL)-METHYL]-2-HYDROXY-5-METHOXY-2,5-CYCLOHEXADIENE-1,4-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21+,22+/m0/s1
InChIKey JJWITJNSXCXULM-YVUMSICPSA-N
Literature Reference Author P.STAHL,L.KISSAU,R.MAZITSCHEK,A.HUWE,P.FURET,A.GIANNIS,H.WAL DMANN
Literature Reference Citation J.AM.CHEM.SOC.,123,11586(2001)
Literature Reference DOI 10.1021/ja011413i
Molecular Weight 358.478 g/mol
Solvent CDCl3
Source File Reference UWLU30710