| SpectraBase Spectrum ID |
2BRHQDAhjEA |
| Name |
Cholan-12-one, (5.alpha.)- |
| Alternate Name(s) |
(5alpha)-cholan-12-one
2oR-epimer of 5.alpha.-cholan-12-one
5.alpha.-cholan-12-one |
| CAS Registry Number |
25829-83-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H40O |
| InChI |
InChI=1S/C24H40O/c1-5-8-16(2)19-12-13-20-18-11-10-17-9-6-7-14-23(17,3)21(18)15-22(25)24(19,20)4/h16-21H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 |
| InChIKey |
IBFJWYGUQHFWFX-NIRKWIOJSA-N |
| Molecular Weight |
344.583 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2=O)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCC)(C)[H])[H])[H])C |
| SPLASH |
splash10-000x-3294000000-b4657b8ce65057d1f442 |
| Source of Spectrum |
AN-92-161-0 |
| Wiley ID |
1338407 |
