| SpectraBase Spectrum ID |
K1VgOpp9fSQ |
| Name |
5-(Hydroxymethyl)-A,B-bisnor-3.beta.-[(methylmercurio)methyl]-5.beta.-cholestane |
| Alternate Name(s) |
5-(Hydroxymethyl)-3.beta.-(methylmercurio)methyl]-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 |
C28H50HgO |
| 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 |
| InChIKey |
ZTIIMQKCJGXZOW-LJEIMAJFSA-N |
| Molecular Weight |
603.299 g/mol |
| SMILES |
OC[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 |
| SPLASH |
splash10-014i-0009000000-fd91bc5b63dc00e3cd8d |
| Source of Spectrum |
J-64-112-16 |
| Wiley ID |
1529188 |
![5-(Hydroxymethyl)-A,B-bisnor-3.beta.-[(methylmercurio)methyl]-5.beta.-cholestane](/api/spectrum/K1VgOpp9fSQ/structure.png?h=300&w=458 "5-(Hydroxymethyl)-A,B-bisnor-3.beta.-[(methylmercurio)methyl]-5.beta.-cholestane")
