![5-Acetyl-3.beta.-[(methylmercurio)methyl]-A,B-bisnor-5.beta.-cholestane](/api/spectrum/CyAxM388Xu9/structure.png?h=300&w=458 "5-Acetyl-3.beta.-[(methylmercurio)methyl]-A,B-bisnor-5.beta.-cholestane")
| SpectraBase Compound ID | Fzgnaf06JVS |
|---|---|
| InChI | InChI=1S/C28H47O.CH3.Hg/c1-18(2)9-8-10-19(3)23-11-12-24-22-17-28(21(5)29)20(4)13-16-27(28,7)25(22)14-15-26(23,24)6;;/h18-20,22-25H,4,8-17H2,1-3,5-7H3;1H3;/t19-,20+,22+,23-,24+,25+,26-,27-,28-;;/m1../s1 |
| InChIKey | XQNWCZOZVKKNIT-QGBVYRLZSA-N |
| Mol Weight | 615.3 g/mol |
| Molecular Formula | C29H50HgO |
| Exact Mass | 616.35681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CyAxM388Xu9 |
|---|---|
| Name | 5-ACETYL-3-BETA-[(METHYLMERCURIO)-METHYL]-A,B-BISNOR-5-BETA-CHOLESTANE |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50HgO |
| InChI | InChI=1S/C28H47O.CH3.Hg/c1-18(2)9-8-10-19(3)23-11-12-24-22-17-28(21(5)29)20(4)13-16-27(28,7)25(22)14-15-26(23,24)6;;/h18-20,22-25H,4,8-17H2,1-3,5-7H3;1H3;/t19-,20+,22+,23-,24+,25+,26-,27-,28-;;/m1../s1 |
| InChIKey | XQNWCZOZVKKNIT-QGBVYRLZSA-N |
| Literature Reference Author | P.KOCOVSKY,V.DUNN,A.GOGOLL,V.LANGER |
| Literature Reference Citation | J.ORG.CHEM.,64,101(1999) |
| Literature Reference DOI | 10.1021/jo9812882 |
| Molecular Weight | 615.305 g/mol |
| Sample ID | 39159 |
| Solvent | CDCl3 |