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(1S,4A-R,5S,8A-R)-5-[2'-(5'',8''-DIOXO-5'',8''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALEN-1-YLMETHYL-ACETATE

View entire compound with spectra: 1 NMR

(1S,4A-R,5S,8A-R)-5-[2'-(5'',8''-DIOXO-5'',8''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALEN-1-YLMETHYL-ACETATE
SpectraBase Compound ID HvXojnjLJDx
InChI InChI=1S/C28H34O4/c1-18-6-13-26-27(3,17-32-19(2)29)14-5-15-28(26,4)23(18)10-8-20-7-9-21-22(16-20)25(31)12-11-24(21)30/h7,9,11-12,16,23,26H,1,5-6,8,10,13-15,17H2,2-4H3/t23-,26-,27+,28+/m0/s1
InChIKey WDPKBCZJDSBMGY-DXXRHUJXSA-N
Mol Weight 434.6 g/mol
Molecular Formula C28H34O4
Exact Mass 434.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UQVCBh06X1
Name (1S,4A-R,5S,8A-R)-5-[2'-(5'',8''-DIOXO-5'',8''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALEN-1-YLMETHYL-ACETATE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O4
InChI InChI=1S/C28H34O4/c1-18-6-13-26-27(3,17-32-19(2)29)14-5-15-28(26,4)23(18)10-8-20-7-9-21-22(16-20)25(31)12-11-24(21)30/h7,9,11-12,16,23,26H,1,5-6,8,10,13-15,17H2,2-4H3/t23-,26-,27+,28+/m0/s1
InChIKey WDPKBCZJDSBMGY-DXXRHUJXSA-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 434.576 g/mol
Sample ID 44478
Solvent CDCl3