| SpectraBase Compound ID | LusSAT1TnPd |
|---|---|
| InChI | InChI=1S/C28H45NO/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(18-29)17-21(30)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3/t20-,22+,23-,24+,25+,26-,27-,28+/m1/s1 |
| InChIKey | LQXDEIFCAJLJSU-HFONHLFMSA-N |
| Mol Weight | 411.7 g/mol |
| Molecular Formula | C28H45NO |
| Exact Mass | 411.350115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8U12SdPjCUh |
|---|---|
| Name | 5-CYANO-5-ALPHA-CHOLESTAN-3-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H45NO |
| InChI | InChI=1S/C28H45NO/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(18-29)17-21(30)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3/t20-,22+,23-,24+,25+,26-,27-,28+/m1/s1 |
| InChIKey | LQXDEIFCAJLJSU-HFONHLFMSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 411.671 g/mol |
| Solvent | CHCl3 |
| Source File Reference | UNIW4043 |