| SpectraBase Spectrum ID |
B2hlVtpoP2W |
| Name |
4-Aza-B-homocholestan-3-one, (5.alpha.)- |
| Alternate Name(s) |
(4aR,4bS,6aR,7R,9aS,9bS,12aR)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethylhexadecahydroindeno[5',4':3,4]cyclohepta[1,2-b]pyridin-2(1H)-one
Anti-4-aza-b-homo-5.alpha.-cholestan-3-one
Indeno[5',4':3,4]cyclohepta[1,2-b]pyridine, 4-aza-b-homocholestan-3-one deriv. |
| CAS Registry Number |
82423-57-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H47NO |
| InChI |
InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)21-12-13-22-20-10-7-11-24-27(5,17-15-25(29)28-24)23(20)14-16-26(21,22)4/h18-24H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,24-,26-,27-/m1/s1 |
| InChIKey |
KQFRKOHXQGLABW-GRFPRMRASA-N |
| Molecular Weight |
401.679 g/mol |
| SMILES |
N1C(CC[C@]2([C@]1(CCC[C@]1([C@]3([C@](CC[C@]21[H])([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])C)=O |
| SPLASH |
splash10-0udi-0001900000-1f4e2e40b4cc626d711e |
| Source of Spectrum |
KC-1982-936-0 |
| Wiley ID |
1370081 |
