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(1-S,4A-R,5-S,6-S,8A-R)-5-[2'-(5'',8''-DIACETOXYNAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-DECAHYDRONAPHTHALENE-1,6-DICARBOXYLIC-ACID-1-METHYLESTER

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(1-S,4A-R,5-S,6-S,8A-R)-5-[2'-(5'',8''-DIACETOXYNAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-DECAHYDRONAPHTHALENE-1,6-DICARBOXYLIC-ACID-1-METHYLESTER
SpectraBase Compound ID G3tqWmPMS49
InChI InChI=1S/C31H38O8/c1-18(32)38-25-12-13-26(39-19(2)33)23-17-20(7-9-21(23)25)8-11-24-22(28(34)35)10-14-27-30(24,3)15-6-16-31(27,4)29(36)37-5/h7,9,12-13,17,22,24,27H,6,8,10-11,14-16H2,1-5H3,(H,34,35)/t22-,24+,27-,30-,31+/m1/s1
InChIKey DYLGUYDUDLRNRZ-NDMXXLENSA-N
Mol Weight 538.6 g/mol
Molecular Formula C31H38O8
Exact Mass 538.256668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9753TaHEjsi
Name (1-S,4A-R,5-S,6-S,8A-R)-5-[2'-(5'',8''-DIACETOXYNAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-DECAHYDRONAPHTHALENE-1,6-DICARBOXYLIC-ACID-1-METHYLESTER
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O8
InChI InChI=1S/C31H38O8/c1-18(32)38-25-12-13-26(39-19(2)33)23-17-20(7-9-21(23)25)8-11-24-22(28(34)35)10-14-27-30(24,3)15-6-16-31(27,4)29(36)37-5/h7,9,12-13,17,22,24,27H,6,8,10-11,14-16H2,1-5H3,(H,34,35)/t22-,24+,27-,30-,31+/m1/s1
InChIKey DYLGUYDUDLRNRZ-NDMXXLENSA-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 538.638 g/mol
Sample ID 44487
Solvent CDCl3