| SpectraBase Compound ID | GzG02tdUVwr |
|---|---|
| InChI | InChI=1S/C60H100Br2O4/c1-45(23-15-25-47(3)31-19-35-55-59(13,65-55)43-21-33-51(7)39-41-53(61)57(9,10)63)27-17-29-49(5)37-38-50(6)30-18-28-46(2)24-16-26-48(4)32-20-36-56-60(14,66-56)44-22-34-52(8)40-42-54(62)58(11,12)64/h23-24,29-34,53-56,63-64H,15-22,25-28,35-44H2,1-14H3/b45-23+,46-24+,47-31+,48-32+,49-29+,50-30+,51-33+,52-34+ |
| InChIKey | ZMBBYNVPPLYUPH-CXMOPIHQSA-N |
| Mol Weight | 1045.3 g/mol |
| Molecular Formula | C60H100Br2O4 |
| Exact Mass | 1042.598838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfrcPQaSZOO |
|---|---|
| Name | 3-BROMO-10,11-EPOXY-2-HYDROXY-2,3,10,11-TETRA-HYDRO-SQUALENE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H100Br2O4 |
| InChI | InChI=1S/C60H100Br2O4/c1-45(23-15-25-47(3)31-19-35-55-59(13,65-55)43-21-33-51(7)39-41-53(61)57(9,10)63)27-17-29-49(5)37-38-50(6)30-18-28-46(2)24-16-26-48(4)32-20-36-56-60(14,66-56)44-22-34-52(8)40-42-54(62)58(11,12)64/h23-24,29-34,53-56,63-64H,15-22,25-28,35-44H2,1-14H3/b45-23+,46-24+,47-31+,48-32+,49-29+,50-30+,51-33+,52-34+ |
| InChIKey | ZMBBYNVPPLYUPH-CXMOPIHQSA-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 | 1045.260 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU965 |