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(1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIACETOXY-1'',4''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALEN-1-YLMETHYL-ACETATE
SpectraBase Compound ID E9l5wXyxGaV
InChI InChI=1S/C32H42O6/c1-20-8-15-30-31(5,19-36-21(2)33)16-7-17-32(30,6)27(20)12-10-24-9-11-25-26(18-24)29(38-23(4)35)14-13-28(25)37-22(3)34/h9,13-14,27,30H,1,7-8,10-12,15-19H2,2-6H3/t27-,30-,31+,32+/m0/s1
InChIKey HGQPZGYTIXUBRF-GDWLNVSCSA-N
Mol Weight 522.7 g/mol
Molecular Formula C32H42O6
Exact Mass 522.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9E8Jzey8eX9
Name (1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIACETOXY-1'',4''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALEN-1-YLMETHYL-ACETATE
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H42O6
InChI InChI=1S/C32H42O6/c1-20-8-15-30-31(5,19-36-21(2)33)16-7-17-32(30,6)27(20)12-10-24-9-11-25-26(18-24)29(38-23(4)35)14-13-28(25)37-22(3)34/h9,13-14,27,30H,1,7-8,10-12,15-19H2,2-6H3/t27-,30-,31+,32+/m0/s1
InChIKey HGQPZGYTIXUBRF-GDWLNVSCSA-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 522.682 g/mol
Sample ID 44473
Solvent CDCl3