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(2S-(2-ALPHA(S),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-DI-(PHENYLMETHO

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(2S-(2-ALPHA(S),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-DI-(PHENYLMETHO
SpectraBase Compound ID 5ul5BlvZ2h7
InChI InChI=1S/C34H36ClNO3/c1-33(2)27-14-15-34(33,3)32-25(27)18-29(39-32)26(19-36)24-16-28(35)31(38-21-23-12-8-5-9-13-23)30(17-24)37-20-22-10-6-4-7-11-22/h4-13,16-17,25-27,29,32H,14-15,18,20-21H2,1-3H3/t25-,26-,27-,29-,32-,34+/m0/s1
InChIKey IIGJHJCSPWCHSU-BJZLIBMSSA-N
Mol Weight 542.1 g/mol
Molecular Formula C34H36ClNO3
Exact Mass 541.238372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Z2ZzTKkD7H
Name (2S-(2-ALPHA(S),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-DI-(PHENYLMETHO
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H36ClNO3
InChI InChI=1S/C34H36ClNO3/c1-33(2)27-14-15-34(33,3)32-25(27)18-29(39-32)26(19-36)24-16-28(35)31(38-21-23-12-8-5-9-13-23)30(17-24)37-20-22-10-6-4-7-11-22/h4-13,16-17,25-27,29,32H,14-15,18,20-21H2,1-3H3/t25-,26-,27-,29-,32-,34+/m0/s1
InChIKey IIGJHJCSPWCHSU-BJZLIBMSSA-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 542.118 g/mol
Solvent CDCl3
Source File Reference UWMP732