| SpectraBase Spectrum ID |
OWXqHfpgW7 |
| Name |
6-Azacholest-4-en-7-one |
| Alternate Name(s) |
(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one |
| CAS Registry Number |
5226-43-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H43NO |
| InChI |
InChI=1S/C26H43NO/c1-17(2)9-8-10-18(3)19-12-13-20-23-21(14-16-25(19,20)4)26(5)15-7-6-11-22(26)27-24(23)28/h11,17-21,23H,6-10,12-16H2,1-5H3,(H,27,28)/t18-,19-,20+,21+,23+,25-,26-/m1/s1 |
| InChIKey |
HALMBFFUHRAASK-AWBYLZBESA-N |
| Molecular Weight |
385.636 g/mol |
| SMILES |
N1C=2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(C1=O)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCCC2)C |
| SPLASH |
splash10-075i-0945000000-aa820cc857760653f369 |
| Source of Spectrum |
T-67-4681-0 |
| Wiley ID |
1362335 |
