| SpectraBase Spectrum ID |
FBaPfvVBgpp |
| Name |
4a-homo-4-azacholest-1-en-3-one |
| Alternate Name(s) |
(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethyl-1,5a,5b,6,7,7a,8,9,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[2,1-c]azepin-3(2H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H45NO |
| InChI |
InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-28-25(29)14-16-26(20,4)24(21)13-15-27(22,23)5/h14,16,18-24H,6-13,15,17H2,1-5H3,(H,28,29)/t19-,20?,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey |
INYIEVUBWNAZMM-WOEDOHCHSA-N |
| Molecular Weight |
399.663 g/mol |
| SMILES |
N1C(C=C[C@]2(C(C1)CC[C@]1([C@]3([C@](CC[C@]21[H])([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])C)=O |
| SPLASH |
splash10-006t-0509200000-9414b755909f0aa1fae1 |
| Source of Spectrum |
KC-1992-431-24 |
| Wiley ID |
776134 |
