| SpectraBase Spectrum ID |
DR52nYxZ2EP |
| Name |
5-.beta.-Hydroxypregnane-2,3-dione |
| Alternate Name(s) |
(5beta)-5-hydroxypregnane-2,3-dione
5-.beta.-Hydroxypregnane-3,20-dione
(5S,8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-5-oxidanyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-13(22)16-4-5-17-15-7-11-21(24)12-14(23)6-10-20(21,3)18(15)8-9-19(16,17)2/h15-18,24H,4-12H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-/m0/s1 |
| InChIKey |
BSZNKGQHKWFMIF-LGCDCWIJSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
O[C@]12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4(C(=O)C)[H])[H])C)[H])(CCC(C1)=O)C |
| SPLASH |
splash10-03di-0009000000-d78d36c2de239214da18 |
| Source of Spectrum |
SK-23-139-5 |
| Wiley ID |
865488 |
