| SpectraBase Spectrum ID |
AgHcGjXn668 |
| Name |
5.beta.-Pregnan-20-one, 3.alpha.,12.alpha.-dihydroxy-, 12-acetate |
| Alternate Name(s) |
Pregnan-20-one, 12-(acetyloxy)-3-hydroxy-, (3.alpha.,5.beta.,12.alpha.)-
(3alpha,12alpha)-3-hydroxy-20-oxopregnan-12-yl acetate
12.alpha.-acetoxy-3.alpha.-hydroxypregnan-20-one |
| CAS Registry Number |
1102-96-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(26)9-10-22(15,3)20(17)12-21(23(18,19)4)27-14(2)25/h15-21,26H,5-12H2,1-4H3/t15?,16-,17+,18-,19+,20+,21+,22+,23-/m1/s1 |
| InChIKey |
KKWSHZSKHGWKNI-SKFILATNSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
O[C@@]1(CC[C@@]2([C@]3(C[C@@]([C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4(C(=O)C)[H])[H])C)(OC(=O)C)[H])[H])C)[H] |
| SPLASH |
splash10-0apj-0094000000-4b5ccb75c2a5a73c93d1 |
| Source of Spectrum |
O-13-406-2 |
| Wiley ID |
1357954 |
