![3.beta.-[(Bromomercurio)methyl]-5-vinyl-A,B-bisnor-5.beta.-cholestane](/api/spectrum/IrYCLUIiHbi/structure.png?h=300&w=458 "3.beta.-[(Bromomercurio)methyl]-5-vinyl-A,B-bisnor-5.beta.-cholestane")
| SpectraBase Compound ID | 3aMiTNeK6wR |
|---|---|
| InChI | InChI=1S/C28H47.BrH.Hg/c1-8-28-18-22-24-13-12-23(20(4)11-9-10-19(2)3)26(24,6)16-15-25(22)27(28,7)17-14-21(28)5;;/h8,19-25H,1,5,9-18H2,2-4,6-7H3;1H;/q;;+1/p-1/t20-,21+,22?,23-,24+,25?,26-,27-,28-;;/m1../s1 |
| InChIKey | UGMPNBZMNSSOIE-YAGIVEEDSA-M |
| Mol Weight | 664.2 g/mol |
| Molecular Formula | C28H47BrHg |
| Exact Mass | 664.256759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IrYCLUIiHbi |
|---|---|
| Name | 3.beta.-[(Bromomercurio)methyl]-5-vinyl-A,B-bisnor-5.beta.-cholestane |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H47BrHg |
| InChI | InChI=1S/C28H47.BrH.Hg/c1-8-28-18-22-24-13-12-23(20(4)11-9-10-19(2)3)26(24,6)16-15-25(22)27(28,7)17-14-21(28)5;;/h8,19-25H,1,5,9-18H2,2-4,6-7H3;1H;/q;;+1/p-1/t20-,21+,22?,23-,24+,25?,26-,27-,28-;;/m1../s1 |
| InChIKey | UGMPNBZMNSSOIE-YAGIVEEDSA-M |
| Molecular Weight | 664.180 g/mol |
| SMILES | [C@]12([C@@](CC3C2CC[C@@]2([C@]([C@@](CCCC(C)C)(C)[H])([H])CC[C@@]32[H])C)(C=C)[C@@](C[Hg]Br)(CC1)[H])C |
| SPLASH | splash10-001i-0009000000-feff9cfed96a7b0cab98 |
| Source of Spectrum | J-64-115-32 |
| Wiley ID | 1529178 |