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(2S-(2-ALPHA(R),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA))-3-CHLORO-ALPHA-((OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANO-BENZOFURAN-2-YL)-OXY)-4,5-(DIPHENYLMETHOX

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(2S-(2-ALPHA(R),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA))-3-CHLORO-ALPHA-((OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANO-BENZOFURAN-2-YL)-OXY)-4,5-(DIPHENYLMETHOX
SpectraBase Compound ID Ev6SAgxsuMe
InChI InChI=1S/C34H36ClNO4/c1-33(2)26-14-15-34(33,3)32-25(26)18-30(40-32)39-29(19-36)24-16-27(35)31(38-21-23-12-8-5-9-13-23)28(17-24)37-20-22-10-6-4-7-11-22/h4-13,16-17,25-26,29-30,32H,14-15,18,20-21H2,1-3H3/t25-,26-,29+,30-,32-,34+/m0/s1
InChIKey UBKYJMQQZMIDIM-JETLZQGRSA-N
Mol Weight 558.1 g/mol
Molecular Formula C34H36ClNO4
Exact Mass 557.233286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gg7UCbF5g8o
Name (2S-(2-ALPHA(R),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA))-3-CHLORO-ALPHA-((OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANO-BENZOFURAN-2-YL)-OXY)-4,5-(DIPHENYLMETHOX
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H36ClNO4
InChI InChI=1S/C34H36ClNO4/c1-33(2)26-14-15-34(33,3)32-25(26)18-30(40-32)39-29(19-36)24-16-27(35)31(38-21-23-12-8-5-9-13-23)28(17-24)37-20-22-10-6-4-7-11-22/h4-13,16-17,25-26,29-30,32H,14-15,18,20-21H2,1-3H3/t25-,26-,29+,30-,32-,34+/m0/s1
InChIKey UBKYJMQQZMIDIM-JETLZQGRSA-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 558.117 g/mol
Solvent CDCl3
Source File Reference UWMP731