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#6;(1-ALPHA,2-ALPHA,2A-BETA,4-ALPHA,5-BETA,5A-ALPHA,6-BETA,9-BETA,9A-ALPHA,9B-BETA,10-ALPHA,10A-BETA)-2,2A,5A,6,7,8,9,9A,10,10A-DECAHYDRO-1-PHENYLTHIO-6,9-METH

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#6;(1-ALPHA,2-ALPHA,2A-BETA,4-ALPHA,5-BETA,5A-ALPHA,6-BETA,9-BETA,9A-ALPHA,9B-BETA,10-ALPHA,10A-BETA)-2,2A,5A,6,7,8,9,9A,10,10A-DECAHYDRO-1-PHENYLTHIO-6,9-METH
SpectraBase Compound ID 8EbbpSH1L9V
InChI InChI=1S/C25H28N2O4S/c1-30-22(28)24-16-11-8-9-12(10-11)17(16)25(23(29)31-2)19-15-20(27(25)26-24)14(18(19)24)21(15)32-13-6-4-3-5-7-13/h3-7,11-12,14-21,26H,8-10H2,1-2H3/t11-,12+,14-,15+,16+,17-,18-,19+,20+,21-,24+,25-/m0/s1
InChIKey QFCSRJYAYJROFY-YRCYMGERSA-N
Mol Weight 452.57 g/mol
Molecular Formula C25H28N2O4S
Exact Mass 452.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdnsJdsa2QD
Name #6;(1-ALPHA,2-ALPHA,2A-BETA,4-ALPHA,5-BETA,5A-ALPHA,6-BETA,9-BETA,9A-ALPHA,9B-BETA,10-ALPHA,10A-BETA)-2,2A,5A,6,7,8,9,9A,10,10A-DECAHYDRO-1-PHENYLTHIO-6,9-METH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28N2O4S
InChI InChI=1S/C25H28N2O4S/c1-30-22(28)24-16-11-8-9-12(10-11)17(16)25(23(29)31-2)19-15-20(27(25)26-24)14(18(19)24)21(15)32-13-6-4-3-5-7-13/h3-7,11-12,14-21,26H,8-10H2,1-2H3/t11-,12+,14-,15+,16+,17-,18-,19+,20+,21-,24+,25-/m0/s1
InChIKey QFCSRJYAYJROFY-YRCYMGERSA-N
Literature Reference Author M.CHRISTL,H.HENNEBERGER,S.FREUND
Literature Reference Citation CHEM.BER.,121,1675(1988)
Literature Reference DOI 10.1002/cber.19881210921
Molecular Weight 452.568 g/mol
Solvent CDCl3
Source File Reference UWGB1639