| SpectraBase Compound ID | CnpmcNdHjSF |
|---|---|
| InChI | InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16?,17?,18?,19?,20+,21-/m1/s1 |
| InChIKey | YWYQTGBBEZQBGO-BGHDUAOVSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C21H36O2 |
| Exact Mass | 320.27153 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | JDnhJO9yaxG |
|---|---|
| Name | 5β-Pregnan-3β,20α-diol |
| Source of Sample | Steraloids Inc. |
| Catalog Number | P6100-000 |
| Lot Number | 8230 |
| CAS Registry Number | 80-90-0 |
| Classification | Progesterone type |
| Comments | C=O impurity |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O2 |
| InChI | InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16?,17?,18?,19?,20+,21-/m1/s1 |
| InChIKey | YWYQTGBBEZQBGO-BGHDUAOVSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 320.517 g/mol |
| SMILES | O[C@@]1(C[C@]2(CCC3C4CCC([C@](O)(C)[H])[C@]4(CCC3[C@]2(CC1)C)C)[H])[H] |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr0 |