![4A-[(CHLOROMERCURIO)-METHYL]-A-BISHOMO-B-NOR-3-ALPHA,5-CYCLO-5-ALPHA-CHOLESTAN-6-ONE](/api/spectrum/U5g9fuOPis/structure.png?h=300&w=458 "4A-[(CHLOROMERCURIO)-METHYL]-A-BISHOMO-B-NOR-3-ALPHA,5-CYCLO-5-ALPHA-CHOLESTAN-6-ONE")
| SpectraBase Compound ID | 66JnOAuNlyw |
|---|---|
| InChI | InChI=1S/C29H47O.ClH.Hg/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-29-21(16-20(4)26(29)30)12-15-28(29,6)25(22)13-14-27(23,24)5;;/h18-25H,4,7-17H2,1-3,5-6H3;1H;/q;;+1/p-1/t19-,20+,21-,22+,23-,24+,25+,27-,28-,29-;;/m1../s1 |
| InChIKey | UVGWBPUKULMYHK-RTIOTEJPSA-M |
| Mol Weight | 647.7 g/mol |
| Molecular Formula | C29H47ClHgO |
| Exact Mass | 648.302188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | U5g9fuOPis |
|---|---|
| Name | 4A-[(CHLOROMERCURIO)-METHYL]-A-BISHOMO-B-NOR-3-ALPHA,5-CYCLO-5-ALPHA-CHOLESTAN-6-ONE |
| Compound Number | 49C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H47ClHgO |
| InChI | InChI=1S/C29H47O.ClH.Hg/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-29-21(16-20(4)26(29)30)12-15-28(29,6)25(22)13-14-27(23,24)5;;/h18-25H,4,7-17H2,1-3,5-6H3;1H;/q;;+1/p-1/t19-,20+,21-,22+,23-,24+,25+,27-,28-,29-;;/m1../s1 |
| InChIKey | UVGWBPUKULMYHK-RTIOTEJPSA-M |
| 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 | 647.735 g/mol |
| Sample ID | 39175 |
| Solvent | CDCl3 |