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#6;(1R,2R,4AS,8AS,3'E,5'S,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-METHYL-5'-BENZOYLOXYHEX-3'-ENYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-

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#6;(1R,2R,4AS,8AS,3'E,5'S,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-METHYL-5'-BENZOYLOXYHEX-3'-ENYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-
SpectraBase Compound ID 4vUXWcOMQAW
InChI InChI=1S/C37H56O3/c1-26-16-13-21-34(3,4)29(26)25-30(40-33(38)28-17-10-9-11-18-28)27(2)15-12-19-32-36(7)23-14-22-35(5,6)31(36)20-24-37(32,8)39/h9-11,15,17-18,29-32,39H,1,12-14,16,19-25H2,2-8H3/b27-15+/t29-,30+,31?,32?,36-,37+/m0/s1
InChIKey PUPSZAFUUHIATB-OVJXZGTGSA-N
Mol Weight 548.9 g/mol
Molecular Formula C37H56O3
Exact Mass 548.422946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7W5kvq3dnm
Name #6;(1R,2R,4AS,8AS,3'E,5'S,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-METHYL-5'-BENZOYLOXYHEX-3'-ENYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H56O3
InChI InChI=1S/C37H56O3/c1-26-16-13-21-34(3,4)29(26)25-30(40-33(38)28-17-10-9-11-18-28)27(2)15-12-19-32-36(7)23-14-22-35(5,6)31(36)20-24-37(32,8)39/h9-11,15,17-18,29-32,39H,1,12-14,16,19-25H2,2-8H3/b27-15+/t29-,30+,31?,32?,36-,37+/m0/s1
InChIKey PUPSZAFUUHIATB-OVJXZGTGSA-N
Literature Reference Author Y.C.SHEN,S.Y.CHENG,Y.H.KUO,T.L.HWANG,M.Y.CHIANG,A.T.KHALIL
Literature Reference Citation J.NAT.PROD.,70,147(2007)
Literature Reference DOI 10.1021/np068029p
Molecular Weight 548.850 g/mol
Sample ID 29555
Solvent CDCl3