| SpectraBase Compound ID | 2I1mKW4Pfkf |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-29-18-14-23-25-12-11-24(21(4)10-8-9-20(2)3)27(25,5)16-15-26(23)28(29,6)17-13-22(30)19-29/h7,20-21,23-26H,1,8-19H2,2-6H3/t21-,23+,24-,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey | NRQBBSPYANUMBV-MJRPSEIDSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fGGY03gNXj |
|---|---|
| Name | 5-ALPHA-VINYL-3-CHOLESTANONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-29-18-14-23-25-12-11-24(21(4)10-8-9-20(2)3)27(25,5)16-15-26(23)28(29,6)17-13-22(30)19-29/h7,20-21,23-26H,1,8-19H2,2-6H3/t21-,23+,24-,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey | NRQBBSPYANUMBV-MJRPSEIDSA-N |
| Literature Reference Author | F.M.WINNIK,P.YATES |
| Literature Reference Citation | MAGN.RES.CHEM.,23,822(1985) |
| Literature Reference DOI | 10.1002/mrc.1260231007 |
| Molecular Weight | 412.700 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW20448 |