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(2S(2-ALPHA(R),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA))-4-(2-((BENZENESULFONYL)-METHYL)-AMINO)-1-((OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANOBENZOFURANE)-2-Y

View entire compound with spectra: 1 NMR

(2S(2-ALPHA(R),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA))-4-(2-((BENZENESULFONYL)-METHYL)-AMINO)-1-((OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANOBENZOFURANE)-2-Y
SpectraBase Compound ID IrfdEL40nWQ
InChI InChI=1S/C39H42ClNO10S3/c1-38(2)31-20-21-39(38,3)37-29(31)23-36(49-37)48-35(25-41(4)52(42,43)26-14-8-5-9-15-26)30-22-33(50-53(44,45)27-16-10-6-11-17-27)34(24-32(30)40)51-54(46,47)28-18-12-7-13-19-28/h5-19,22,24,29,31,35-37H,20-21,23,25H2,1-4H3/t29-,31-,35-,36-,37-,39+/m1/s1
InChIKey WSFLNLTZGIBQLG-CGCQMGHFSA-N
Mol Weight 816.4 g/mol
Molecular Formula C39H42ClNO10S3
Exact Mass 815.165938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYbwzI3PSDQ
Name (2S(2-ALPHA(R),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA))-4-(2-((BENZENESULFONYL)-METHYL)-AMINO)-1-((OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANOBENZOFURANE)-2-Y
Compound Number 19A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H42ClNO10S3
InChI InChI=1S/C39H42ClNO10S3/c1-38(2)31-20-21-39(38,3)37-29(31)23-36(49-37)48-35(25-41(4)52(42,43)26-14-8-5-9-15-26)30-22-33(50-53(44,45)27-16-10-6-11-17-27)34(24-32(30)40)51-54(46,47)28-18-12-7-13-19-28/h5-19,22,24,29,31,35-37H,20-21,23,25H2,1-4H3/t29-,31-,35-,36-,37-,39+/m1/s1
InChIKey WSFLNLTZGIBQLG-CGCQMGHFSA-N
Literature Reference Author M.KNOLLMUELLER,P.GAERTNER,J.PERNERSTORFER,P.POJARLIEV,H.B.ST EGMANN
Literature Reference Citation MH.CHEM.,130,451(1999)
Literature Reference DOI 10.1007/s007060050204
Molecular Weight 816.396 g/mol
Solvent CDCl3
Source File Reference UWMP761