![3-BETA-[(BROMOMERCURIO)-METHYL]-A,B-BISNOR-5-BETA-CHOLESTANE-5-CARBALDEHYDE](/api/spectrum/Kz72bFb6m8W/structure.png?h=300&w=458 "3-BETA-[(BROMOMERCURIO)-METHYL]-A,B-BISNOR-5-BETA-CHOLESTANE-5-CARBALDEHYDE")
| SpectraBase Compound ID | Kbgzlb3U2ki |
|---|---|
| InChI | InChI=1S/C27H45O.BrH.Hg/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-27(17-28)20(4)12-15-26(27,6)24(21)13-14-25(22,23)5;;/h17-24H,4,7-16H2,1-3,5-6H3;1H;/q;;+1/p-1/t19-,20+,21+,22-,23+,24+,25-,26-,27+;;/m1../s1 |
| InChIKey | AWWZOYSBLDPFPL-JRKMTWBSSA-M |
| Mol Weight | 666.2 g/mol |
| Molecular Formula | C27H45BrHgO |
| Exact Mass | 666.236023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kz72bFb6m8W |
|---|---|
| Name | 3-BETA-[(BROMOMERCURIO)-METHYL]-A,B-BISNOR-5-BETA-CHOLESTANE-5-CARBALDEHYDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45BrHgO |
| InChI | InChI=1S/C27H45O.BrH.Hg/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-27(17-28)20(4)12-15-26(27,6)24(21)13-14-25(22,23)5;;/h17-24H,4,7-16H2,1-3,5-6H3;1H;/q;;+1/p-1/t19-,20+,21+,22-,23+,24+,25-,26-,27+;;/m1../s1 |
| InChIKey | AWWZOYSBLDPFPL-JRKMTWBSSA-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 | 666.148 g/mol |
| Sample ID | 39182 |
| Solvent | CD2Cl2 |