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#11;(1R,2R,4AS,8AS,3'S,4'S,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-HYDROXY-4'-METHYLHEXYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-OL

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#11;(1R,2R,4AS,8AS,3'S,4'S,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-HYDROXY-4'-METHYLHEXYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-OL
SpectraBase Compound ID CHTAsi7r1BT
InChI InChI=1S/C30H52O2/c1-21-11-9-16-26(2,3)22(21)14-19-29(7,31)25-13-12-24-28(6)18-10-17-27(4,5)23(28)15-20-30(24,8)32-25/h22-25,31H,1,9-20H2,2-8H3/t22-,23?,24?,25-,28+,29+,30-/m1/s1
InChIKey HXCVTTSIJYSHGE-NJIYZWNCSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57GOKBtsC3t
Name #11;(1R,2R,4AS,8AS,3'S,4'S,1''S)-(+)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-HYDROXY-4'-METHYLHEXYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-OL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-21-11-9-16-26(2,3)22(21)14-19-29(7,31)25-13-12-24-28(6)18-10-17-27(4,5)23(28)15-20-30(24,8)32-25/h22-25,31H,1,9-20H2,2-8H3/t22-,23?,24?,25-,28+,29+,30-/m1/s1
InChIKey HXCVTTSIJYSHGE-NJIYZWNCSA-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 444.742 g/mol
Sample ID 29562
Solvent CDCl3