| SpectraBase Spectrum ID |
5Bp4aoXJnDu |
| Name |
4a-[(Chloromercurio)methyl]-A-bishomo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestane-6-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H47ClHgO |
| InChI |
InChI=1S/C29H47O.ClH.Hg/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-29-21(16-20(4)26(29)30)12-15-28(29,6)25(22)13-14-27(23,24)5;;/h18-25H,4,7-17H2,1-3,5-6H3;1H;/q;;+1/p-1/t19-,20+,21-,22?,23-,24+,25?,27-,28-,29-;;/m1../s1 |
| InChIKey |
UVGWBPUKULMYHK-FAOGVUGDSA-M |
| Molecular Weight |
647.739 g/mol |
| SMILES |
[C@@]123[C@@](C4CC[C@]5([C@](C4C3)(CC[C@@]5([C@@](CCCC(C)C)(C)[H])[H])[H])C)(CC[C@@]1(C[C@@](C2=O)(C[Hg]Cl)[H])[H])C |
| SPLASH |
splash10-03di-0000900000-9081593a3af4633a4b43 |
| Source of Spectrum |
J-64-118-49 |
| Synonyms |
4a-[(Chloromercurio)methyl]-A-bishomo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestan-6-one |
| Wiley ID |
1529109 |
![4a-[(Chloromercurio)methyl]-A-bishomo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestane-6-one](/api/spectrum/5Bp4aoXJnDu/structure.png?h=300&w=458 "4a-[(Chloromercurio)methyl]-A-bishomo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestane-6-one")
