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#12;METHYL-(1R-(1-ALPHA,4A-BETA,4B-ALPHA,10A-ALPHA))-1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-9-TOLUENESULFONYLOXY-PHENANTHRENE-1-CA

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#12;METHYL-(1R-(1-ALPHA,4A-BETA,4B-ALPHA,10A-ALPHA))-1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-9-TOLUENESULFONYLOXY-PHENANTHRENE-1-CA
SpectraBase Compound ID 7SOm3SiItTv
InChI InChI=1S/C28H38O5S/c1-18(2)20-10-13-23-22(16-20)24(33-34(30,31)21-11-8-19(3)9-12-21)17-25-27(23,4)14-7-15-28(25,5)26(29)32-6/h8-9,11-12,16,18,23,25H,7,10,13-15,17H2,1-6H3/t23-,25+,27+,28+/m0/s1
InChIKey ALYRFPLSCHLOMS-LPWJOBEDSA-N
Mol Weight 486.7 g/mol
Molecular Formula C28H38O5S
Exact Mass 486.243995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JITUHFFvQZK
Name #12;METHYL-(1R-(1-ALPHA,4A-BETA,4B-ALPHA,10A-ALPHA))-1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-9-TOLUENESULFONYLOXY-PHENANTHRENE-1-CA
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O5S
InChI InChI=1S/C28H38O5S/c1-18(2)20-10-13-23-22(16-20)24(33-34(30,31)21-11-8-19(3)9-12-21)17-25-27(23,4)14-7-15-28(25,5)26(29)32-6/h8-9,11-12,16,18,23,25H,7,10,13-15,17H2,1-6H3/t23-,25+,27+,28+/m0/s1
InChIKey ALYRFPLSCHLOMS-LPWJOBEDSA-N
Literature Reference Author A.PRESSER,I.POETSCHGER,E.HASLINGER,A.HUEFNER
Literature Reference Citation MH.CHEM.,133,231(2002)
Literature Reference DOI 10.1007/s007060200000
Molecular Weight 486.667 g/mol
Solvent CDCl3
Source File Reference UWKP5393