| SpectraBase Spectrum ID |
23I96NklTh3 |
| Name |
5.beta.-Pregnan-20-one, 3.alpha.,12.alpha.-dihydroxy-, 12-acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| 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 |
[C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(C[C@@]2(OC(=O)C)[H])[H])(CC[C@@](O)(C4)[H])C)[H])(CC[C@@]1(C(=O)C)[H])[H])C |
