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

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#8;(1R,2R,4AS,8AS,3'E,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-BENZOYLOXYMETHYLHEX-3'-ENYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-OL
SpectraBase Compound ID Js1CS1wADYm
InChI InChI=1S/C37H56O3/c1-27-14-12-22-34(2,3)30(27)20-19-28(26-40-33(38)29-16-9-8-10-17-29)15-11-18-32-36(6)24-13-23-35(4,5)31(36)21-25-37(32,7)39/h8-10,15-17,30-32,39H,1,11-14,18-26H2,2-7H3/b28-15-/t30-,31?,32?,36-,37+/m0/s1
InChIKey HUMFFFIQCUYXAD-OFMJKPAWSA-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 5QuAodDAsAT
Name #8;(1R,2R,4AS,8AS,3'E,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-BENZOYLOXYMETHYLHEX-3'-ENYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-OL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H56O3
InChI InChI=1S/C37H56O3/c1-27-14-12-22-34(2,3)30(27)20-19-28(26-40-33(38)29-16-9-8-10-17-29)15-11-18-32-36(6)24-13-23-35(4,5)31(36)21-25-37(32,7)39/h8-10,15-17,30-32,39H,1,11-14,18-26H2,2-7H3/b28-15-/t30-,31?,32?,36-,37+/m0/s1
InChIKey HUMFFFIQCUYXAD-OFMJKPAWSA-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 29558
Solvent CDCl3