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3-BROMO-18,19-EPOXY-2-HYDROXY-2,3,18,19-TETRAHYDRO-SQUALENE
SpectraBase Compound ID LswvIGEJXo1
InChI InChI=1S/C30H51BrO2/c1-23(2)13-12-22-30(8)28(33-30)21-19-25(4)15-10-9-14-24(3)16-11-17-26(5)18-20-27(31)29(6,7)32/h13-15,17,27-28,32H,9-12,16,18-22H2,1-8H3/b24-14+,25-15+,26-17+
InChIKey ZHTYPQXBDURJHZ-HAHXBMLTSA-N
Mol Weight 523.6 g/mol
Molecular Formula C30H51BrO2
Exact Mass 522.307244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDFgna1hdJ4
Name 3-BROMO-18,19-EPOXY-2-HYDROXY-2,3,18,19-TETRAHYDRO-SQUALENE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H51BrO2
InChI InChI=1S/C30H51BrO2/c1-23(2)13-12-22-30(8)28(33-30)21-19-25(4)15-10-9-14-24(3)16-11-17-26(5)18-20-27(31)29(6,7)32/h13-15,17,27-28,32H,9-12,16,18-22H2,1-8H3/b24-14+,25-15+,26-17+
InChIKey ZHTYPQXBDURJHZ-HAHXBMLTSA-N
Literature Reference Author J.L.ABAD,J.CASAS,F.SANCHEZ-BAEZA,A.MESSEGUER
Literature Reference Citation J.ORG.CHEM.,58,3991(1993)
Literature Reference DOI 10.1021/jo00067a036
Molecular Weight 523.638 g/mol
Solvent CDCl3
Source File Reference UWRU962