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(1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIHYDROXY-1'',4''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALEN-1-YLMETHANOL

View entire compound with spectra: 1 NMR

(1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIHYDROXY-1'',4''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALEN-1-YLMETHANOL
SpectraBase Compound ID 1x4nxU6CjWl
InChI InChI=1S/C26H36O3/c1-17-5-12-24-25(2,16-27)13-4-14-26(24,3)21(17)9-7-18-6-8-19-20(15-18)23(29)11-10-22(19)28/h6,10-11,21,24,27-29H,1,4-5,7-9,12-16H2,2-3H3/t21-,24-,25+,26+/m0/s1
InChIKey IBTUFNZMRMJZBK-DTGGKOQTSA-N
Mol Weight 396.6 g/mol
Molecular Formula C26H36O3
Exact Mass 396.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EI5fJyYTFKV
Name (1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIHYDROXY-1'',4''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALEN-1-YLMETHANOL
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O3
InChI InChI=1S/C26H36O3/c1-17-5-12-24-25(2,16-27)13-4-14-26(24,3)21(17)9-7-18-6-8-19-20(15-18)23(29)11-10-22(19)28/h6,10-11,21,24,27-29H,1,4-5,7-9,12-16H2,2-3H3/t21-,24-,25+,26+/m0/s1
InChIKey IBTUFNZMRMJZBK-DTGGKOQTSA-N
Literature Reference Author J.M.M.D.CORRAL,M.GORDALIZA,M.A.CASTRO,M.M.MAHIQUES,P.CHAMORR O,A.MOLINARI,M.D.GAR
Literature Reference Citation J.MED.CHEM.,44,1257(2001)
Literature Reference DOI 10.1021/jm001048q
Molecular Weight 396.570 g/mol
Sample ID 44474
Solvent CDCl3