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(1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIACETOXY-NAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID 51N8KiipSbw
InChI InChI=1S/C31H38O6/c1-19-8-15-28-30(4,16-7-17-31(28,5)29(34)35-6)25(19)12-10-22-9-11-23-24(18-22)27(37-21(3)33)14-13-26(23)36-20(2)32/h9,11,13-14,18,25,28H,1,7-8,10,12,15-17H2,2-6H3/t25-,28+,30+,31-/m0/s1
InChIKey QHOFXURIEDCCOX-YXWCJEOBSA-N
Mol Weight 506.6 g/mol
Molecular Formula C31H38O6
Exact Mass 506.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeEUXEqQGKG
Name (1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIACETOXY-NAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID-METHYLESTER
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O6
InChI InChI=1S/C31H38O6/c1-19-8-15-28-30(4,16-7-17-31(28,5)29(34)35-6)25(19)12-10-22-9-11-23-24(18-22)27(37-21(3)33)14-13-26(23)36-20(2)32/h9,11,13-14,18,25,28H,1,7-8,10,12,15-17H2,2-6H3/t25-,28+,30+,31-/m0/s1
InChIKey QHOFXURIEDCCOX-YXWCJEOBSA-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 506.639 g/mol
Sample ID 44476
Solvent CDCl3