| SpectraBase Compound ID | MJQ9ZwVSdo |
|---|---|
| InChI | InChI=1S/C29H49NO2/c1-7-32-18-21-17-22-24-12-11-23(20(4)10-8-9-19(2)3)28(24,5)15-13-25(22)29(6)16-14-26(31)30-27(21)29/h19-20,22-25H,7-18H2,1-6H3,(H,30,31)/t20-,22+,23-,24+,25+,28-,29-/m1/s1 |
| InChIKey | JFPOGNUTPBLALN-OZGJWFRWSA-N |
| Mol Weight | 443.7 g/mol |
| Molecular Formula | C29H49NO2 |
| Exact Mass | 443.37633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HctBg2ZeflU |
|---|---|
| Name | 4-AZA-6-ETHOXYMETHYLCHOLEST-5-EN-3-ONE |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H49NO2 |
| InChI | InChI=1S/C29H49NO2/c1-7-32-18-21-17-22-24-12-11-23(20(4)10-8-9-19(2)3)28(24,5)15-13-25(22)29(6)16-14-26(31)30-27(21)29/h19-20,22-25H,7-18H2,1-6H3,(H,30,31)/t20-,22+,23-,24+,25+,28-,29-/m1/s1 |
| InChIKey | JFPOGNUTPBLALN-OZGJWFRWSA-N |
| Literature Reference Author | O.E.EDWARDS,G.GRUE-SORENSEN,B.A.BLACKWELL |
| Literature Reference Citation | CAN.J.CHEM.,75,857(1997) |
| Literature Reference DOI | 10.1139/v97-104 |
| Molecular Weight | 443.714 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6495 |