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#11;[3AR-(3A-ALPHA,4-ALPHA,5-ALPHA,7A-ALPHA)]-6-BROMO-2,2-DIMETHYL-4,5-BIS-(3-PHENYL-(E)-2-PROPENYLOXY)-3A,4,5,7A-TETRAHYDRO-2,2-DIMETHYL-1,3-BENZODIOXOLE
SpectraBase Compound ID LLnlPXQ9Miu
InChI InChI=1S/C27H29BrO4/c1-27(2)31-23-19-22(28)24(29-17-9-15-20-11-5-3-6-12-20)26(25(23)32-27)30-18-10-16-21-13-7-4-8-14-21/h3-16,19,23-26H,17-18H2,1-2H3/b15-9+,16-10+/t23-,24-,25-,26-/m1/s1
InChIKey VEYVGWGDKOAPHU-NNSGEEMQSA-N
Mol Weight 497.43 g/mol
Molecular Formula C27H29BrO4
Exact Mass 496.124922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JdtmXHgx5B
Name #11;[3AR-(3A-ALPHA,4-ALPHA,5-ALPHA,7A-ALPHA)]-6-BROMO-2,2-DIMETHYL-4,5-BIS-(3-PHENYL-(E)-2-PROPENYLOXY)-3A,4,5,7A-TETRAHYDRO-2,2-DIMETHYL-1,3-BENZODIOXOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H29BrO4
InChI InChI=1S/C27H29BrO4/c1-27(2)31-23-19-22(28)24(29-17-9-15-20-11-5-3-6-12-20)26(25(23)32-27)30-18-10-16-21-13-7-4-8-14-21/h3-16,19,23-26H,17-18H2,1-2H3/b15-9+,16-10+/t23-,24-,25-,26-/m1/s1
InChIKey VEYVGWGDKOAPHU-NNSGEEMQSA-N
Literature Reference Author T.HUDLICKY,C.D.CLAEBOE,L.E.BRAMMER,L.KORONIAK,G.BUTORA,I.GHI VIRIGA
Literature Reference Citation J.ORG.CHEM.,64,4909(1999)
Literature Reference DOI 10.1021/jo990382v
Molecular Weight 497.429 g/mol
Sample ID 58048
Solvent CDCl3