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

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#1;(+)-AMBREIN;(1R,2R,4AS,8AS,3'E,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-METHYLHEX-3'-ENYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-OL
SpectraBase Compound ID 5UEYJFzaLxO
InChI InChI=1S/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3/b22-12+/t24-,25?,26?,29-,30+/m0/s1
InChIKey BIADSXOKHZFLSN-NXUYJVBLSA-N
Mol Weight 428.7 g/mol
Molecular Formula C30H52O
Exact Mass 428.401816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HN0cJczKhuI
Name #1;(+)-AMBREIN;(1R,2R,4AS,8AS,3'E,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-METHYLHEX-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 C30H52O
InChI InChI=1S/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3/b22-12+/t24-,25?,26?,29-,30+/m0/s1
InChIKey BIADSXOKHZFLSN-NXUYJVBLSA-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 428.742 g/mol
Sample ID 29552
Solvent CDCl3