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#7C;(1S,4A-R,5S,8A-R)-5-[2'-(2'',3''-EPOXY-5'',8''-DIHYDROXY-1'',2'',3'',4''-TETRAHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOX
SpectraBase Compound ID 2VvqO4YUJcp
InChI InChI=1S/C27H36O5/c1-16-6-9-22-25(2,11-5-12-26(22,3)24(30)31-4)19(16)10-13-27-15-18-17(14-23(27)32-27)20(28)7-8-21(18)29/h7-8,19,22-23,28-29H,1,5-6,9-15H2,2-4H3/t19-,22+,23?,25+,26-,27?/m0/s1
InChIKey XHSQLTJRPQKNHN-ZFHUBBRZSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H36O5
Exact Mass 440.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LaoOMtNUkU
Name #7C;(1S,4A-R,5S,8A-R)-5-[2'-(2'',3''-EPOXY-5'',8''-DIHYDROXY-1'',2'',3'',4''-TETRAHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O5
InChI InChI=1S/C27H36O5/c1-16-6-9-22-25(2,11-5-12-26(22,3)24(30)31-4)19(16)10-13-27-15-18-17(14-23(27)32-27)20(28)7-8-21(18)29/h7-8,19,22-23,28-29H,1,5-6,9-15H2,2-4H3/t19-,22+,23?,25+,26-,27?/m0/s1
InChIKey XHSQLTJRPQKNHN-ZFHUBBRZSA-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 440.580 g/mol
Sample ID 44479
Solvent CDCl3