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

View entire compound with spectra: 1 NMR

#3;(1R,2R,4AS,8AS,3'E,5'R,1''S)-(-)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-METHYL-5'-HYDROXYHEX-3'-ENYL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-OL
SpectraBase Compound ID 5znpT0I65Lz
InChI InChI=1S/C30H52O2/c1-21-13-10-16-27(3,4)23(21)20-24(31)22(2)12-9-14-26-29(7)18-11-17-28(5,6)25(29)15-19-30(26,8)32/h12,23-26,31-32H,1,9-11,13-20H2,2-8H3/b22-12+/t23-,24-,25?,26?,29-,30+/m0/s1
InChIKey QXSVGYIHTCMMOA-PSVQGEJISA-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 7JiTkmbf13X
Name #3;(1R,2R,4AS,8AS,3'E,5'R,1''S)-(-)-1-[6'-(2'',2''-DIMETHYL-6''-METHYLENECYCLOHEXYL)-4'-METHYL-5'-HYDROXYHEX-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 C30H52O2
InChI InChI=1S/C30H52O2/c1-21-13-10-16-27(3,4)23(21)20-24(31)22(2)12-9-14-26-29(7)18-11-17-28(5,6)25(29)15-19-30(26,8)32/h12,23-26,31-32H,1,9-11,13-20H2,2-8H3/b22-12+/t23-,24-,25?,26?,29-,30+/m0/s1
InChIKey QXSVGYIHTCMMOA-PSVQGEJISA-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 29554
Solvent CDCl3