![(6R)-[6-2H]-5-(Hydroxymethyl)-A,B-bisnor-3.beta.-[(methylmercurio)methyl]-5.beta.-cholestane](/api/spectrum/CTRUxZVrcqX/structure.png?h=300&w=458 "(6R)-[6-2H]-5-(Hydroxymethyl)-A,B-bisnor-3.beta.-[(methylmercurio)methyl]-5.beta.-cholestane")
| SpectraBase Compound ID | JjFtqjeiO6G |
|---|---|
| InChI | InChI=1S/C27H47O.CH3.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;;/h18-24,28H,4,7-17H2,1-3,5-6H3;1H3;/t19-,20+,21?,22-,23+,24?,25-,26-,27+;;/m1../s1/i17D;;/t17-,19-,20+,21?,22-,23+,24?,25-,26-,27+;; |
| InChIKey | ZTIIMQKCJGXZOW-JHJABRIRSA-N |
| Mol Weight | 604.3 g/mol |
| Molecular Formula | C28H49DHgO |
| Exact Mass | 605.363087 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CTRUxZVrcqX |
|---|---|
| Name | (6R)-[6-2H]-5-(Hydroxymethyl)-A,B-bisnor-3.beta.-[(methylmercurio)methyl]-5.beta.-cholestane |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H49DHgO |
| InChI | InChI=1S/C27H47O.CH3.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;;/h18-24,28H,4,7-17H2,1-3,5-6H3;1H3;/t19-,20+,21?,22-,23+,24?,25-,26-,27+;;/m1../s1/i17D;;/t17-,19-,20+,21?,22-,23+,24?,25-,26-,27+;; |
| InChIKey | ZTIIMQKCJGXZOW-JHJABRIRSA-N |
| Molecular Weight | 604.305 g/mol |
| SMILES | O[C@@]([C@]12[C@@](C3C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])C2)(CC[C@@]1(C[Hg]C)[H])C)([D])[H] |
| SPLASH | splash10-00di-0009000000-6f4f819f2d99e54f9d23 |
| Source of Spectrum | J-64-113-18 |
| Synonyms | (6R)-[6-2H]-5-(Hydroxymethyl)-3.beta.-(methylmercurio)methyl]-A,B-bisnor-5.beta.-cholestane |
| Wiley ID | 1529187 |