![A,B-Bisnor-5.beta.-cholestan-3.beta.-[(methylmercurio)methyl]-5-carbaldehyde](/api/spectrum/Elu7H9LdOWu/structure.png?h=300&w=458 "A,B-Bisnor-5.beta.-cholestan-3.beta.-[(methylmercurio)methyl]-5-carbaldehyde")
| SpectraBase Compound ID | 5i5nE9wCVeQ |
|---|---|
| InChI | InChI=1S/C27H45O.CH3.Hg/c1-18(2)8-7-9-19(3)23-11-10-22-14-21-15-27(17-28)20(4)12-13-26(27,6)24(21)16-25(22,23)5;;/h17-24H,4,7-16H2,1-3,5-6H3;1H3;/t19-,20+,21?,22+,23-,24?,25+,26-,27?;;/m1../s1 |
| InChIKey | LQGUAWQWZDGXHS-CQEOIVBVSA-N |
| Mol Weight | 601.3 g/mol |
| Molecular Formula | C28H48HgO |
| Exact Mass | 602.34116 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Elu7H9LdOWu |
|---|---|
| Name | A,B-Bisnor-5.beta.-cholestan-3.beta.-[(methylmercurio)methyl]-5-carbaldehyde |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48HgO |
| InChI | InChI=1S/C27H45O.CH3.Hg/c1-18(2)8-7-9-19(3)23-11-10-22-14-21-15-27(17-28)20(4)12-13-26(27,6)24(21)16-25(22,23)5;;/h17-24H,4,7-16H2,1-3,5-6H3;1H3;/t19-,20+,21?,22+,23-,24?,25+,26-,27?;;/m1../s1 |
| InChIKey | LQGUAWQWZDGXHS-CQEOIVBVSA-N |
| Molecular Weight | 601.283 g/mol |
| SMILES | [C@]12(C(CC3C2C[C@@]2([C@](CC[C@@]2([H])C3)([C@@](CCCC(C)C)(C)[H])[H])C)([C@@](C[Hg]C)(CC1)[H])C=O)C |
| SPLASH | splash10-000i-0009000000-c6212a669b534153a67d |
| Source of Spectrum | J-64-112-14 |
| Wiley ID | 848909 |