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(1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIOXO-5'',8''-DIHYDRO-NAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID
SpectraBase Compound ID LI0hAHauVL9
InChI InChI=1S/C26H30O4/c1-16-5-12-23-25(2,13-4-14-26(23,3)24(29)30)20(16)9-7-17-6-8-18-19(15-17)22(28)11-10-21(18)27/h6,8,10-11,15,20,23H,1,4-5,7,9,12-14H2,2-3H3,(H,29,30)/t20-,23+,25+,26-/m0/s1
InChIKey BUTHFEPZZKMLDN-HCBGRYSISA-N
Mol Weight 406.52 g/mol
Molecular Formula C26H30O4
Exact Mass 406.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lk68BJis542
Name (1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIOXO-5'',8''-DIHYDRO-NAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O4
InChI InChI=1S/C26H30O4/c1-16-5-12-23-25(2,13-4-14-26(23,3)24(29)30)20(16)9-7-17-6-8-18-19(15-17)22(28)11-10-21(18)27/h6,8,10-11,15,20,23H,1,4-5,7,9,12-14H2,2-3H3,(H,29,30)/t20-,23+,25+,26-/m0/s1
InChIKey BUTHFEPZZKMLDN-HCBGRYSISA-N
Literature Reference Author J.M.M.D.CORRAL,M.GORDALIZA,M.A.CASTRO,M.M.MAHIQUES,P.CHAMORR O,A.MOLINARI,M.D.GAR
Literature Reference Citation J.MED.CHEM.,44,1257(2001)
Literature Reference DOI 10.1021/jm001048q
Molecular Weight 406.522 g/mol
Sample ID 44468
Solvent CDCl3