SpectraBase Compound ID | EnBFO638HHj |
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InChI | InChI=1S/C36H54O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3/t26-,29+,30+,31-,32+,33+,35+,36-/m1/s1 |
InChIKey | KPNKAGLPVPTLGB-ZOJFKXTHSA-N |
Mol Weight | 518.8 g/mol |
Molecular Formula | C36H54O2 |
Exact Mass | 518.412381 g/mol |
SpectraBase Spectrum ID | 3zH1tq6UN96 |
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Name | Cholesteryl hydrocinnamate |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | C77902 |
CAS Registry Number | 14914-99-9 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C36H54O2 |
InChI | InChI=1S/C36H54O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3/t26-,29+,30+,31-,32+,33+,35+,36-/m1/s1 |
InChIKey | KPNKAGLPVPTLGB-ZOJFKXTHSA-N |
Observed nucleus | 1H |
Purity | 97% |
Solvent | CDCl3 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | 3beta-Hydroxy-5-cholestene 3-hydrocinnamate 5-Cholesten-3beta-ol 3-hydrocinnamate Cholesteryl phenylpropionate |
Wiley ID | SIAL_1HNMR_011141 |